ORCID Profile
0000-0001-8755-3596
Current Organisation
University of Western Australia
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Research Topics
In Research Link Australia (RLA), "Research Topics" refer to ANZSRC FOR and SEO codes. These topics are either sourced from ANZSRC FOR and SEO codes listed in researchers' related grants or generated by a large language model (LLM) based on their publications.
Top 5 Research Topics
ANZSRC Field of Research (FoR)
Physical Chemistry (Incl. Structural) | Structural Chemistry and Spectroscopy | Nanochemistry and Supramolecular Chemistry | Structural Chemistry | Non-automotive Combustion and Fuel Engineering (incl. Alternative/Renewable Fuels) | Chemical Characterisation of Materials | Organometallic Chemistry | Transition Metal Chemistry | Supramolecular Chemistry | Theoretical and Computational Chemistry not elsewhere classified | Molecular and Organic Electronics | Chemical thermodynamics and energetics | Nanotechnology | Natural Products Chemistry | Organometallic chemistry | Chemical Spectroscopy | Synthetic biology | Biochemistry and Cell Biology | Organic Chemical Synthesis | Electrochemistry | Organic Chemical Synthesis | Chemical Sciences not elsewhere classified | Plant Biochemistry And Physiology | Environmental biotechnology not elsewhere classified | Materials Engineering not elsewhere classified | Biochemistry and Cell Biology not elsewhere classified | Inorganic chemistry | Metals and alloy materials | Structural Biology (incl. Macromolecular Modelling) | Petroleum Geology | Physical chemistry | Transition metal chemistry | Central Nervous System | Other Chemical Sciences | Physical Chemistry not elsewhere classified | Nanotechnology | Condensed Matter Physics—Structural Properties | Analytical Chemistry | Biochemistry and cell biology | Physical properties of materials | Analytical Spectrometry | Organic Chemistry | Solid State Chemistry | Macromolecular and Materials Chemistry | Inorganic Chemistry | Other Instrumental Methods | Chemical Engineering | Electrochemistry | Nanoscale Characterisation | Medical Biochemistry and Metabolomics not elsewhere classified | Theoretical And Computational Chemistry Not Elsewhere Classified | Neurosciences |
ANZSRC Socio-Economic Objective (SEO)
Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Biological Sciences | Chemical sciences | Physical sciences | Expanding Knowledge in the Physical Sciences | Field crops | Production of Biofuels (Biomass) | Ceramics, glass and industrial mineral products not elsewhere classified | Field crops not elsewhere classified | Diagnostics | Manufactured products not elsewhere classified | Treatments (e.g. chemicals, antibiotics) | Organic industrial chemicals not classified elsewhere | Land and water management | Other | Nervous system and disorders | Energy transformation not elsewhere classified | Expanding Knowledge in the Environmental Sciences | Expanding Knowledge in Engineering |
Related Links
Publications
Stereocontrol in complexes of cyclam-like macrocycles – influences of chirality
Publisher: Elsevier BV
Date: 03-2004
Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host–Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis
Publisher: American Chemical Society (ACS)
Date: 14-02-2019
DOI: 10.1021/JACS.8B12927
Abstract: High-resolution synchrotron and neutron single-crystal diffraction data of 18-crown-6/(pentakis)urea measured at 30 K are combined, with the aim of better appreciating the electrostatics associated with intermolecular interactions in condensed matter. With two 18-crown-6 molecules and five different urea molecules in the crystal, this represents the most ambitious combined X-ray/synchrotron and neutron experimental charge density analysis to date on a cocrystal or host-guest system incorporating such a large number of unique molecules. The dipole moments of the five urea guest molecules in the crystal are enhanced considerably compared to values determined for isolated molecules, and 2D maps of the electrostatic potential and electric field show clearly how the urea molecules are oriented with dipole moments aligned along the electric field exerted by their molecular neighbors. Experimental electric fields in the range of 10-19 GV m
Cluster building on a bicarbide fragment: synthesis and structure of [Fe2Ru2(.mu.4-C.tplbond.C)(.mu.-CO)(CO)8(.eta.-C5H5)2]
Publisher: American Chemical Society (ACS)
Date: 07-1992
DOI: 10.1021/OM00043A067
Synthesis and electropolymerization of N-(4′-carboxyphenyl)-2,5-di(2″-thienyl)pyrrole
Publisher: Elsevier BV
Date: 2010
The modification of M41S materials: addition of metal clusters and nanoparticles
Publisher: Royal Society of Chemistry (RSC)
Date: 2010
DOI: 10.1039/B9NJ00626E
Investigation of an Unusual Crystal Habit of Hydrochlorothiazide Reveals Large Polar Enantiopure Domains and a Possible Crystal Nucleation Mechanism
Publisher: Wiley
Date: 24-06-2019
Abstract: The observation of an unusual crystal habit in the common diuretic drug hydrochlorothiazide (HCT), and identification of its subtle conformational chirality, has stimulated a detailed investigation of its crystalline forms. Enantiomeric conformers of HCT resolve into an unusual structure of conjoined enantiomorphic twin crystals comprising enantiopure domains of opposite chirality. The purity of the domains and the chiral molecular conformation are confirmed by spatially revolved synchrotron micro-XRD experiments and neutron diffraction, respectively. Macroscopic inversion twin symmetry observed between the crystal wings suggests a pseudoracemic structure that is not a solid solution or a layered crystal structure, but an unusual structural variant of conglomerates and racemic twins. Computed interaction energies for molecular pairs in the racemic and enantiopure polymorphs of HCT, and the observation of large opposing unit-cell dipole moments for the enantiopure domains in these twin crystals, suggest a plausible crystal nucleation mechanism for this unusual crystal habit.
Reduction of Bu2tC˭O by H3MNMe3(M = Al or Ga): Product AssociationviaBridging Alkyloxides (M = Al, Ga) and Hydrides (M = Al)
Publisher: IOS Press
Date: 09-1995
Reaction of ruthenium and iron alkynyl complexes with [Mo2(CO)4(η-C5H5)2] ‡
Publisher: Royal Society of Chemistry (RSC)
Date: 1998
DOI: 10.1039/A708734I
Stable tertiary phosphine adducts of alane
Publisher: American Chemical Society (ACS)
Date: 04-1992
DOI: 10.1021/OM00040A013
The Elusive Structural Origin of Plastic Bending in Dimethyl Sulfone Crystals with Quasi‐isotropic Crystal Packing
Publisher: Wiley
Date: 04-05-2017
Reaction of Ruthenium Ethyne‐1,2‐diyl Compounds with Bis(trimethylsilyl)acetylene Complexes of Titanocene and Zirconocene: Remarkable Transfer of a C2 Ligand
Publisher: Wiley
Date: 09-05-2005
Supramolecular Recognition and Energy Frameworks in Host-Guest Complexes of 18-Crown-6 and Sulfonamides
Publisher: American Chemical Society (ACS)
Date: 05-11-2015
Facile Synthesis of Pentamethylcyclopentadienyl Ruthenium Half-Sandwich Complexes by Naphthalene Displacement
Publisher: CSIRO Publishing
Date: 2018
DOI: 10.1071/CH18024
Abstract: Ruthenium half-sandwich complexes are central in a wide range of erse applications in the field of organometallic chemistry. As such, exploration of their preparation and reactivity is crucial for development of their chemistry. Herein, we present alternative synthetic methods for the preparation of Cp*Ru(dppm)Cl, Cp*Ru(dppe)Cl, Cp*Ru(dppf)Cl, [Cp*Ru(COD)(MeCN)]BF4, and [Cp*Ru(bpy)(MeCN)]BF4 (dppm = 1,2-bis(diphenylphosphino)methane dppe = 1,2-bis(diphenylphosphino) ethane dppf = 1,2-bis(diphenylphosphino)ferrocene COD = 1,5-cyclooctadiene bpy= 2,2′-bipyridine), starting from the easily accessible [Cp*Ru(η6-C10H8)]BF4. The single-crystal X-ray structure determinations for [Cp*Ru(COD)(MeCN)]BF4, and [Cp*Ru(bpy)(MeCN)]BF4 are also presented.
Mixed-donor and monomeric N-donor adducts of alane
Publisher: American Chemical Society (ACS)
Date: 08-1993
DOI: 10.1021/IC00068A017
Synthesis of cluster complexes containing Au2(PPh3)2moieties: isolobal models of the interaction of H2with metal clusters. X-Ray structure of Au2
Publisher: Royal Society of Chemistry (RSC)
Date: 1990
DOI: 10.1039/C39900000674
Physical and crystallographic characterisation of the mGlu5 antagonist MTEP and its monohydrochloride
Publisher: Elsevier BV
Date: 2010
DOI: 10.1002/JPS.21823
Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid
Publisher: American Chemical Society (ACS)
Date: 11-02-2004
DOI: 10.1021/IC034913G
Abstract: Reaction between ethane-1,2-diamine and 3,3'-dichloropivalic acid results in different, isomeric tetra-amine derivatives, one a tetraamino carboxylic acid and the other a carboxamidotriamino alcohol, depending upon reaction conditions. Intended conversion of the Cu(II) complex of the former to a cyclam-like macrocycle through reaction with nitroethane and formaldehyde results in isolation of derivatives of both the former and the latter. This can be rationalized by assuming the intermediacy of an azetidinone, a species similar to that seen in simpler reactions of dichloropivalates. A single reaction thereby provides pendent-arm macrocycles where one has an electrophilic and the other a nucleophilic substituent. Parallel chemistry is not seen in the reaction between propane-1,3-diamine and 3,3'-dichloropivalate.
Positron annihilation studies of mesoporous silica MCM-41
Publisher: IOP Publishing
Date: 10-06-2013
Cyclopentadienyl-ruthenium and -osmium Chemistry. XXXV. Some Ethynyl, Vinylidene and Related Complexes
Publisher: CSIRO Publishing
Date: 1991
DOI: 10.1071/CH9910207
Abstract: The syntheses of several vinylidene - and ethynyl -ruthenium complexes are described, starting from HC2SiMe3 and RuCl (L)2(η-C5H5)(L= PPh3, PMe3 L2 = dppe ). Their properties and some reactions are reported. The metallacyclic complex [ Ru {C4H2(SiMe3)2}(PMe3)(η-C5H5)][PF6] has also been isolated. The unsubstituted complexes are very reactive for ex le, MeOH adds rapidly to the vinylidene to form the C(OMe)Me derivative.
Cluster chemistry
Publisher: Elsevier BV
Date: 04-1991
Foreword to 'Dedication to Allan White'
Publisher: CSIRO Publishing
Date: 2012
DOI: 10.1071/CH12304
Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C1CE05439B
Heterobimetallic Complexes: Substitution Effects in the [Tetracarbonylrhodiumbis{μ‐(diphenylphosphino)}{μ‐(η:η2‐(4‐diphenylphosphino‐κP)‐2‐methyl‐oxobutyl)}molybdenum](Mo‐Rh) System
Publisher: Wiley
Date: 04-03-2008
Dichalcogenide Cleavage and Carbonyl Insertion Reactions on a Dirhodium Bond
Publisher: Wiley
Date: 04-03-2008
Cyclopentadienyl-ruthenium and -osmium chemistry
Publisher: Elsevier BV
Date: 12-1991
Functionalised organometallic photoswitches containing dihydropyrene units
Publisher: Royal Society of Chemistry (RSC)
Date: 2023
DOI: 10.1039/D3DT02505E
Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes
Publisher: American Chemical Society (ACS)
Date: 06-08-2014
DOI: 10.1021/OM500172R
Solution-phase decomposition of ferrocene into wustite-iron oxide core-shell nanoparticles
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D1DT03222D
Abstract: FeO core–shell nanoparticles (NPs) are obtained by thermal decomposition of Cp 2 Fe in 1-octadecene and oleic acid and oleylamine. Cubic and spherical NPs are obtained whose size and shape can be controlled through adjusting reaction parameters.
Supported heterogeneous catalysts: what controls cobalt nanoparticle dispersion on alumina?
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C8NJ03076F
Abstract: Bright field TEM and EFTEM overlay of Co and O maps highlight distribution of cobalt nanoparticles on alumina support.
Carbonyl substitution chemistry of some trimetallic transition metal cluster complexes with polyfunctional ligands
Publisher: Elsevier BV
Date: 05-2008
Phosphine substituted Ru3(μ-dppm)(CO)10: structural trends within [Ru3(μ-dppm)(PR3)(CO)9] (R=Et, Ph, Cy and Pri)
Publisher: Elsevier BV
Date: 08-2002
Synthesis and crystal structures of [C6H4SC(S)NNa·3P(NMe2)3O·NaN(S)CSC6H4] and [C6H4SC(S)NLi·pmdien](pmdie
Publisher: Royal Society of Chemistry (RSC)
Date: 1995
DOI: 10.1039/DT9950004059
Reactions of transition metal acetylide complexes
Publisher: Elsevier BV
Date: 12-1985
Thienyl-Substituted Allenylideneruthenium(II) Complexes: Synthesis, Spectroscopic Characterization, and Electrochemical Studies
Publisher: American Chemical Society (ACS)
Date: 26-04-2011
DOI: 10.1021/OM200030N
Reactions of transition metal σ-acetylides
Publisher: Elsevier BV
Date: 02-1987
Reactions of metalloalkynes
Publisher: Elsevier BV
Date: 03-2000
Supramolecular interactions between hexabromoethane and cyclopentadienyl ruthenium bromides: Halogen bonding or electrostatic organisation?
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C1CE05438D
Gold(I) chloride adducts of 1,3-bis(di-2-pyridylphosphino)propane: Synthesis, structural studies and antitumour activity
Publisher: Royal Society of Chemistry (RSC)
Date: 2007
DOI: 10.1039/B705008A
Abstract: The novel water soluble bidentate phosphine ligand 1,3-bis(di-2-pyridylphosphino)propane (d2pypp) has been synthesized by a convenient route involving treatment of 2-pyridyllithium with Cl(2)P(CH(2))(3)PCl(2) and isolation in crystalline form as the hydrochloride salt. The synthesis of the precursor Cl(2)P(CH(2))(3)PCl(2) has been optimized by the use of triphosgene as the chlorinating agent. The 2 : 1 and 1 : 2 AuCl : d2pypp adducts have been synthesized and characterized by NMR spectroscopy and single crystal X-ray studies, and shown to be of the form (AuCl)(2)(mu-d2pypp-P,P') and [Au(d2pypp-P,P')(2)]Cl(.3.75H(2)O), respectively. The latter is more lipophilic than analogous 1 : 2 adducts of gold(I) chloride with the diphosphine ligands 1,2-bis(di-n-pyridylphosphino)ethane (dnpype) for n = 2, 3 and 4, based on measurement of the n-octanol-water partition coefficient (log P = -0.46). A single crystal structure determination of the 1 : 2 Au(I) complex of the 3-pyridyl ethane ligand shows it to be of the form [Au(d3pype-P,P')(2)]Cl.5H(2)O. The in vitro cytotoxic activity of [Au(d2pypp)(2)]Cl was assessed in human normal and cancer breast cells and selective toxicity to the cancer cells found. The significance of these results to the antitumour properties of chelated 1 : 2 Au(I) diphosphine complexes is discussed.
Modern Main Group Chemistry: From Renaissance to Revolution
Publisher: CSIRO Publishing
Date: 2013
DOI: 10.1071/CH13429
Cyclopentadienyl-ruthenium and -osmium chemistry
Publisher: Elsevier BV
Date: 1980
Structural and electrochemical studies of Co(III) cage amine complexes with pendent thienylmethylamino groups
Publisher: American Chemical Society (ACS)
Date: 05-04-2010
DOI: 10.1021/IC9019603
Abstract: Various 2- and 3-thienylmethylamino-substituted cobalt(III) cage amine complexes, prepared with the objective of obtaining cage-functionalized polythienyls, have been found to be resistant to oxidative polymerization by both electrochemical and chemical procedures. X-ray structure determinations indicate that there is negligible perturbation of the physical dimensions of the thiophene moieties by the cage substituents and thus that the resistance to polymerization must be associated with the high positive charge carried by these substituents.
Chemically and Mechanically Controlled Single-Molecule Switches Using Spiropyrans
Publisher: American Chemical Society (ACS)
Date: 16-09-2019
Abstract: Developing molecular circuits that can function as the active components in electrical devices is an ongoing challenge in molecular electronics. It demands mechanical stability of the single-molecule circuit while simultaneously being responsive to external stimuli mimicking the operation of conventional electronic components. Here, we report single-molecule circuits based on spiropyran derivatives that respond electrically to chemical and mechanical stimuli. The merocyanine that results from the protonation/ring-opening of the spiropyran form showed single-molecule diode characteristics, with an average current rectification ratio of 5 at ±1 V, favoring the orientation where the positively charged end of the molecule is attached to the negative terminal of the circuit. Mechanical pulling of a single spiropyran molecule drives a switch to a more conducting merocyanine state. The mechanical switching is enabled by the strong Au-C covalent bonding between the molecule and the electrodes, which allows the tensile force delivered by the STM piezo to break the molecule at its spiropyran C-O bond.
Systematic Structural Coordination Chemistry of p‐tert‐Butyltetrathiacalix[4]arene: Main Group Metal Complexes Other Than Those of Group 1
Publisher: Wiley
Date: 30-04-2010
Metallosurfactants in the preparation of mesoporous silicas
Publisher: Elsevier BV
Date: 03-2012
Multistate Switching of Some Ruthenium Alkynyl and Vinyl Spiropyran Complexes
Publisher: American Chemical Society (ACS)
Date: 27-07-2023
Chloride and phosphide-substituted gallium hydrides: [Cy3PGaH3 –nCln]n= 1 or 2, and trimeric [{H2Ga(µ-PCy2)}3]
Publisher: Royal Society of Chemistry (RSC)
Date: 1995
DOI: 10.1039/C39950001669
Molecular imprisonment: Host response to guest location, orientation, and dynamics in clathrates of Dianin's compound
Publisher: American Chemical Society (ACS)
Date: 05-02-2014
DOI: 10.1021/CG4018129
Evaluation of the 5-ethynyl-1,3,3-trimethyl-3H-indole ligand for molecular materials applications
Publisher: CSIRO Publishing
Date: 06-07-2023
DOI: 10.1071/CH23069
Abstract: The modification of conjugated organic compounds with organometallic moieties allows the modulation of the electronic and optoelectronic properties of such compounds and lends them to a variety of material applications. The organometallic complexes [M(Cp′)(L)n] (M = Ru or Fe Cp′ = cyclopentadiene (Cp) or pentamethylcyclopentadiene (Cp*) (L)n = (PPh3)2 or 1,2-bi(diphenylphosphino)ethane (dppe)) and [M(L)n] (M = Ru (L)n = (dppe)2 or (P(OEt)3)4 or M = Pt (L)n = (PEt3)2, (PPh3)2 or tricyclohexylphosphine, (PCy3)2) modified with a 5-ethynyl-1,3,3-trimethyl-3H-indole ligand were prepared and characterised by NMR spectroscopy, IR and single-crystal X-ray diffraction. Cyclic voltammetry and IR spectroelectrochemistry of the ruthenium systems showed a single-electron oxidation localised over the M–C≡C–aryl moiety. The N-heteroatom of the indole ligand showed Lewis base properties and was able to extract a proton from a vinylidene intermediate as well as coordinate to CuI. Ex les from the wire-like compounds were also studied by single-molecule break junction experiments but molecular junction formation was not observed. This is most likely attributable to the binding characteristics of the substituted terminal indole groups used here to the gold contacts.
cis-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate,cis-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate,cis-tetrachlorobis(isobutyronitrile)tin(IV),cis<
Publisher: International Union of Crystallography (IUCr)
Date: 16-08-2003
DOI: 10.1107/S0108270103012642
Abstract: The structures of the title compounds, [SnCl(4)(C(2)H(3)N)(2)] x C(2)H(3)N*-, [SnCl(4)(C(3)H(5)N)(2)] x C(3)H(5)N, [SnCl(4)(C(4)H(7)N)(2)], [SnCl(4)(C(7)H(11)N)(2)] and [SnCl(4)(C(8)H(7)N)(2)], were determined with the intention of examining the effect of various substituent types in nitrile ligands, RCN, behaving in a common sigma-donor situation [in this case, as cis-bis complexes with SnCl(4), viz. [SnCl(4)(RCN)(2)]], on (i) the strength of complex formation with the metal atom and (ii) other bonding behaviour of the metal (for ex le, trans effects). The five structures exhibit no non-trivial systematic perturbation that can be said to be contingent on the substituent type.
Chapter 8. Organo-transition metal cluster complexes
Publisher: Royal Society of Chemistry
Date: 2014
Purification of C60 and C70 by selective complexation with calixarenes
Publisher: Springer Science and Business Media LLC
Date: 03-1994
DOI: 10.1038/368229A0
Structural characterization of [Ru3Mo(μ3-η1-CC}(μ-CO)3(CO)2(η-C5H5)5]: a revisitation
Publisher: Elsevier BV
Date: 04-2003
Mixed-metal cluster chemistry. 28. Core enlargement of tungsten-iridium clusters with alkynyl, ethyndiyl, and butadiyndiyl reagents
Publisher: American Chemical Society (ACS)
Date: 02-04-2005
DOI: 10.1021/IC050040+
Abstract: Reaction of [WIr3(mu-CO)3(CO)8(eta-C5Me5)] (1c) with [W(C[triple bond]CPh)(CO)3(eta-C5H5)] afforded the edge-bridged tetrahedral cluster [W2Ir3(mu4-eta2-C2Ph)(mu-CO)(CO)9(eta-C5H5)(eta-C5Me5)] (3) and the edge-bridged trigonal-bipyramidal cluster [W3Ir3(mu4-eta2-C2Ph)(mu-eta2-C=CHPh)(Cl)(CO)8(eta-C5Me5)(eta-C5H5)2] (4) in poor to fair yield. Cluster 3 forms by insertion of [W(C[triple bond]CPh)(CO)3(eta-C5H5)] into Ir-Ir and W-Ir bonds, accompanied by a change in coordination mode from a terminally bonded alkynyl to a mu4-eta2 alkynyl ligand. Cluster 4 contains an alkynyl ligand interacting with two iridium atoms and two tungsten atoms in a mu4-eta2 fashion, as well as a vinylidene ligand bridging a W-W bond. Reaction of [WIr3(CO)11(eta-C5H5)] (1a) or 1c with [(eta-C5H5)(CO)2 Ru(C[triple bond]C)Ru(CO)2(eta-C5H5)] afforded [Ru2WIr3(mu5-eta2-C2)(mu-CO)3(CO)7(eta-C5H5)2(eta-C5R5)] [R = H (5a), Me (5c)] in low yield, a structural study of 5a revealing a WIr3 butterfly core capped and spiked by Ru atoms the diruthenium ethyndiyl precursor has undergone Ru-C scission, with insertion of the C2 unit into a W-Ir bond of the cluster precursor. Reaction of [W2Ir2(CO)10(eta-C5H5)2] with the diruthenium ethyndiyl reagent gave [RuW2Ir2{mu4-eta2-(C2C[triple bond]C)Ru(CO)2(eta-C5H5)}(mu-CO)2(CO)6(eta-C5H5)3] (6) in low yield, a structural study of 6 revealing a butterfly W2Ir2 unit capped by a Ru(eta-C5H5) group resulting from Ru-C scission the terminal C2 of a new ruthenium-bound butadiyndiyl ligand has been inserted into the W-Ir bond. Reaction between 1a, [WIr3(CO)11(eta-C5H4Me)] (1b), or 1c and [(eta-C5H5)(CO)3W(C[triple bond]CC[triple bond]C)W(CO)3(eta-C5H5)] afforded [W2Ir3{mu4-eta2-(C2C[triple bond]C)W(CO)3(eta-C5H5)}(mu-CO)2(CO)2(eta-C5H5)(eta-C5R5)] [R = H (7a), Me (7c) R5 = H4Me (7b)] in good yield, a structural study of 7c revealing it to be a metallaethynyl analogue of 3.
Synthesis and structure of [{Ru(CO)2(Cp)}2(.mu.-C.tplbond.C)]: an ethynediyl complex formed during tungsten-catalyzed alkyne metathesis
Publisher: American Chemical Society (ACS)
Date: 03-1991
DOI: 10.1021/JA00006A068
Cyclopentadienyl-ruthenim and -osmium chemistry
Publisher: Elsevier BV
Date: 12-1991
Investigation of an Unusual Crystal Habit of Hydrochlorothiazide Reveals Large Polar Enantiopure Domains and a Possible Crystal Nucleation Mechanism
Publisher: Wiley
Date: 24-06-2019
Reactions of metalloalkynes VII. Protonation of ruthenium ethyne-1,2-diyl complexes
Publisher: Elsevier BV
Date: 03-2003
Synthesis and Properties of Ferrocenyl Allenylidene Complexes: X-ray Structure of [Ru(C═C═CHFc)(PPh3)2(η5-C5H5)][PF6]·CH2Cl
Publisher: American Chemical Society (ACS)
Date: 08-03-2010
DOI: 10.1021/OM9010214
Authentication of a sodium primary phosphide: synthesis and crystal structure of [Na{PH(C6H11)}(pmdeta)]2(pmdeta =N,N,N′,N″,N″-pentamethyldiethylenetriamine)
Publisher: Royal Society of Chemistry (RSC)
Date: 1995
DOI: 10.1039/C39950000047
Ruthenium carbonyl cluster complexes with oxygen ligands. Reactions between Ru3(CO)12 and 4-methoxyphenol or 2-naphthol. Crystal structure of Ru4(μ3-OC6H4OMe-4)2(μ-Cl)(μ-OC6H4OMe-4)(CO)10, an unusual
Publisher: Elsevier BV
Date: 08-1994
Alane– and gallane–sulfur donor chemistry: synthesis of AlH3·NMe(CH2CH2)2S, {AlH2[µ-N(CH2CH2)2S]}2and
Publisher: Royal Society of Chemistry (RSC)
Date: 1996
DOI: 10.1039/DT9960000829
Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation
Publisher: American Chemical Society (ACS)
Date: 11-02-2004
DOI: 10.1021/IC034912O
Abstract: Use of a hydroxyl-functionalized open chain tetramine in a template reaction based on its Cu(II) complex leads, after reduction, to a new tetraaza macrocycle with both amino and hydroxyl substituents. The macrocycle is formed predominantly as its trans (anti) isomer, though the cis form is detectable and both have been structurally characterized in the form of their metal complexes. Although both the Cu(II) and the Co(III) complexes of the tetramine precursor ligand have the hydroxyl group in an axial position of a chair six-membered chelate ring, the trans macrocycle forms Co(III) complexes with this substituent in both equatorial and axial positions.
Gallane/Phosphine Adducts: Air-Stable H 3 Ga.P(C 6 H 11 ) 3 and Gallane Rich 2H 3 Ga.(PMe 2 CH 2 ) 2
Publisher: American Chemical Society (ACS)
Date: 06-1992
DOI: 10.1021/IC00039A001
Carbon Chain Formation on Metallic Arrays. X-ray Structural Determinations of [Ru4(μ4-(CCC(CO2Me)C(CO2Me))(η-C5H4R)2(μ-CO)(
Publisher: American Chemical Society (ACS)
Date: 18-06-2002
DOI: 10.1021/OM0101745
The Concept of Coordination
Publisher: Elsevier BV
Date: 02-2005
Anion-Directed Solid-State Structures of Copper(I) and Silver(I) Adducts of Ruthenium Ethyne-1,2-diyl Compounds
Publisher: American Chemical Society (ACS)
Date: 29-05-2015
DOI: 10.1021/OM501270U
A re-investigation of the reaction of [RuCl2(CO)3]2 with C5H5(Me3Si) X-ray structure determination of [Ru(CO)3(η-C5H5)][fac-RuCl3(CO)3]
Publisher: Elsevier BV
Date: 07-1996
Manganese–calcium clusters supported by calixarenes
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C4DT02952F
Abstract: An investigation inspired by the structure of the oxygen-evolving complex of photosystem II has resulted in the isolation and structural characterization of the first ex les of Mn/Ca clusters supported by a calixarene ligand.
Highly Fluorous Bidentate Phosphines
Publisher: Georg Thieme Verlag KG
Date: 08-2008
Systematic Structural Coordination Chemistry of p‐tert‐Butyltetrathiacalix[4]arene: Further Complexes of Transition‐Metal Ions
Publisher: Wiley
Date: 30-04-2010
Systematic Structural Coordination Chemistry of p‐tert‐Butyltetrathiacalix[4]arene: Further Complexes of Lanthanide Metal Ions
Publisher: Wiley
Date: 30-04-2010
Amphiphile Structures in the Solid State: Complex Cations with Lipophilic Substituents
Publisher: Wiley
Date: 06-2005
Tris(tri-o-tolyl phosphite-κP)nickel: A coordinatively unsaturated nickel(0) complex
Publisher: International Union of Crystallography (IUCr)
Date: 14-02-2015
DOI: 10.1107/S2053229615001680
Abstract: A previously reported complex, [Ni(C 21 H 21 O 3 P) 3 ] or Ni[P(O- o -tolyl 3 ) 3 ] [Gosser & Tolman (1970). Inorg. Chem. 9 , 2350–2353], crystallized in the monoclinic space group C 2/ c , and its solid-state structure was determined. The Ni 0 atom adopts an essentially trigonal-planar geometry as a consequence of the steric congestion of the ligands. Three of the phenoxy rings on two phosphite ligands were modelled as being disordered over two sets of sites, and the occupancy factors were set at 0.5 after trial refinement and intramolecular contact considerations. The exact ligand cone angle has been calculated to be 163.6°.
A simple procedure for the production of large ferromagnetic cobalt nanoparticles
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6DT01935H
Abstract: Epsilon cobalt (ε-Co) nanoparticles in a number of octahedral morphologies have been synthesised.
A novel approach to FePt assemblage and synthesis
Publisher: American Chemical Society (ACS)
Date: 18-03-2008
DOI: 10.1021/JP8009113
Magnetic studies of metal ion coordination clusters encapsulated with thiacalixarene
Publisher: CSIRO Publishing
Date: 2014
DOI: 10.1071/CH14136
Abstract: Three thiacalix[4]arene polynuclear complexes have been prepared by literature methods for detailed magnetic investigation. The [Fe3O(L)2] (LH4 = thiacalix[4]arene) complex is found to exhibit interesting anti-ferromagnetic exchange coupling. Jahn–Teller distortion in [Cu4(L)2] complex leads to strong anti-ferromagnetic coupling at low temperatures. The temperature-dependent susceptibility of the [(μ-H2O)Eu2(LH)2(DMF)4] complex is well described by a ground state involving the thermal population of the lowest three excited states.
Lewis base adducts of alane and gallane
Publisher: Elsevier BV
Date: 08-1993
Proton switching of polarity in metalloamphiphile crystals
Publisher: Royal Society of Chemistry (RSC)
Date: 2009
DOI: 10.1039/B817145A
Highly fluorous complexes of nickel, palladium and platinum: solubility and catalysis in high pressure CO2
Publisher: Royal Society of Chemistry (RSC)
Date: 2011
DOI: 10.1039/C0DT01709D
Abstract: A variety of Group 10 metal complexes [MXY(dfppp)], M = Ni, X, Y = Cl, Br, M = Pd, Pt, X, Y = Cl or CH(3), containing the recently reported highly fluorous diphosphine ligand, dfppp, 1,3-bis[di(fluoroponytail)phosphino]propane, {(p-F(13)C(6)C(6)H(4))(2)P}(2)(CH(2))(3) have been synthesised. They have been characterised by NMR, mass spectrometry and microanalysis, with two platinum complexes, [PtCl(2)(dfppp)] and [PtClMe(dfppp)], structurally characterised by single crystal X-ray diffraction studies. The highly fluorous nature of the ligands affords the complexes good supercritical CO(2) solubility as measured by supercritical fluid extraction (SFE), and has allowed for the copolymerisation of CO and ethylene using [PdClMe(dfppp)] as the catalyst precursor and CO(2) as the solvent. Additionally, PtCl(2) complexes of the new ligands dfppb, {(p-F(13)C(6)C(6)H(4))(2)P}(2)(CH(2))(4), and dfpop, {(p-F(13)C(6)C(6)H(4)O)(2)P}(2)(CH(2))(3), have also been prepared and characterised.
The structural definition of some novel adducts of stoichiometry CuX:dpex:MeCN (2:1:1)(n), X=(pseudo-) halogen, dppx=Ph2E(CH2)xEPh2, E=P, As, Sb
Publisher: Elsevier BV
Date: 04-2006
An Orthogonal Conductance Pathway in Spiropyrans for Well-Defined Electrosteric Switching Single-Molecule Junctions
Publisher: Wiley
Date: 10-10-2023
An experimental investigation of dynamic behavior in FePt systems
Publisher: IOP Publishing
Date: 25-02-2009
DOI: 10.1088/0953-8984/21/12/124203
Abstract: Magnetic relaxation experiments have been used to investigate the non-equilibrium dynamics of FePt nanoparticles. The system exhibits ageing at low temperatures, as well as a narrow energy distribution of the barrier to reversal. These properties were found susceptible to being affected by particle size, matrix and applied field strength. An analysis based on broad rate distributions is presented and compared with results obtained using energy barrier and viscosity interpretations. We find that a single broad distribution of relaxation times suggestive of cooperative effects is sufficient to explain the experimental results.
Highly Fluorous Complexes of Ruthenium and Osmium and Their Solubility in Supercritical Carbon Dioxide
Publisher: American Chemical Society (ACS)
Date: 25-11-2009
DOI: 10.1021/IC901880F
Abstract: A series of ruthenium and osmium complexes containing highly fluorous diphosphine ligands (F)P(wedge)P(F) = (F(13)C(6)C(6)H(4)-p)(2)P(CH(2))(2)P(p-C(6)H(4)C(6)F(13))(2) (dfppe) and (F(13)C(6)C(6)H(4)-p)(2)P(CH(2))(3)P(p-C(6)H(4)C(6)F(13))(2) (dfppp) has been prepared. The fluorous diphosphine ligands incorporate four C(6)F(13) "fluoro-ponytails", and these have been effective in solubilizing the complexes in supercritical carbon dioxide (scCO(2)). Precise solubility measurements in scCO(2) were performed for some of the complexes. The new complexes [MX(2)((F)P(wedge)P(F))(2)] and [MX((F)P(wedge)P(F))(eta-C(5)H(5))], M = Ru, Os, X = Cl, Br, have been characterized by a number of spectroscopic techniques and their electrochemical properties measured, three of the ruthenium complexes also being characterized by single-crystal X-ray studies. The noncovalent interactions observed in the X-ray structures have been analyzed by the Hirshfeld surface approach, putting them on a more solid footing. The fluorinated complexes show significantly different solvation properties from those of the analogous unfluorinated compounds, particularly with respect to their behavior in common organic solvents and their good scCO(2) solubility.
A Linear Ru‐Tl‐Ru Complex Obtained from Halide Abstraction: An Example of Metal‐Dative Bonding
Publisher: Wiley
Date: 07-2007
(η-Cyclopentadienyl)[methoxy(methyl)carbene]bis(triphenylphosphine)ruthenium(II) hexafluorophosphate
Publisher: International Union of Crystallography (IUCr)
Date: 15-06-1988
Domino reactions for the synthesis of anthrapyran-2-ones and the total synthesis of the natural product (±)-BE-26554A
Publisher: American Chemical Society (ACS)
Date: 05-09-2013
DOI: 10.1021/OL402240V
Abstract: A domino alkyne addition/CO insertion/Nu acylation reaction to a series of novel anthrapyran-2-ones in good to excellent yields is described. In addition, an efficient synthetic sequence involving carbonylation, formation of a β-keto-sulfoxide, and cyclization is presented en route to the antibiotic and antitumor compound (±)-BE-26554A.
The Elusive Structural Origin of Plastic Bending in Dimethyl Sulfone Crystals with Quasi-isotropic Crystal Packing
Publisher: Wiley
Date: 04-05-2017
Abstract: Bending in molecular crystals is typically associated with the anisotropy of intermolecular interactions. The intriguing observation is reported of plastic bending in dimethyl sulfone, which exhibits nearly isotropic crystal packing and interaction topology, defying the known structural models of bending crystals. The origin of the bending phenomenon has been explored in terms of intermolecular interaction energies, experimental X-ray charge density analysis, and variable temperature neutron diffraction studies. H⋅⋅⋅H dihydrogen interactions and differences in electrostatic complementarity between molecular layers are found to facilitate the bending behavior.
Cyclopentadienyl-Ruthenium and -Osmium Chemistry. XXXI. Preparation of Some Complexes Containing 1,1'-Bis(diphenylphosphino)ferrocene (dppf): X-Ray Structure of RuH(dppf)(η-C5H5)
Publisher: CSIRO Publishing
Date: 1988
DOI: 10.1071/CH9880963
Abstract: Exchange of 2PPh3 for Fe(η-C5H4PPh2)2 ( dppf ) in RuCl (PPh3)2(η-C5H5) (80°C, 16 h) afforded RuCl ( dppf )(η-C5H5), which was converted into the corresponding hydride and 1,2-bis( methoxycarbonyl )vinyl derivatives. Crystals of RuH ( dppf )(η-C5H5) are triclinic, space group Pī with a 14.392(3), b 20.175(5), c 12.379(2)Ǻ, α 105.02(2),β 109.73(2),γ 96.56(2)° and Z 4. The structure was refined by a blocked-matrix least-squares procedure to R 0.055 and Rw 0.056 for 3917 reflections with I ≥ 2.5σ(I).
1,1′-Diacetyloctamethylferrocene: an overlooked and overdue synthon leading to the facile synthesis of an octamethylferrocenophane
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6DT03820D
Abstract: Surprisingly easy access to versatile synthons: high yielding acylation, chloroformylation and intramolecular cyclisation reaction to a ferrocenophane.
Iron-substituted arsine, [Fe(AsPh2)(dppe)(η-C5H5)]·2thf (dppe = Ph2PCH2CH2PPh2, thf = tetrahydrofuran)
Publisher: Royal Society of Chemistry (RSC)
Date: 1997
DOI: 10.1039/A704414C
Variations on a Cage Theme: Some Complexes of Bicyclic Polyamines as Supramolecular Synthons
Publisher: CSIRO Publishing
Date: 2009
DOI: 10.1071/CH09356
Abstract: Dedication: One of Alan Sargeson’s great abilities was to seek out knowledge on topics of which he was not the master from those people with the expertise. This led occasionally to publications with a ‘cricket team’ of authors but with a rich brew of information, often international. Alan also insisted that all authors were equal since, without any one, the paper would not be what it was. Hence, he endeavoured to pursue the policy, difficult to maintain over a period where an obsession with absurdities such as the order of authors and point-scoring based on meaningless publication indices became so important in the maintenance of research, of listing authors simply in alphabetical order. In describing work begun while he was still with us, we have attempted to adhere to his principles. Analysis of a body of crystallographic information concerning metal(ii) and metal(iii) complexes of macrobicyclic hexamine ligands and some of their derivatives provides evidence for the action of a variety of intermolecular forces within the lattices. Hydrogen bonding is universal and its forms depend strongly upon the oxidation state and the particular nature of the metal ion bound to the macrobicycle. The introduction of both aliphatic and aromatic substituents leads to lattices in which these substituents associate, although, in the case of aromatic substituents, this is not necessarily a consequence of ‘π-stacking’, despite the fact that the aromatic ring planes form parallel arrays. At least in the case of CoIII, stable enantiomers of the complexes can be obtained, and in {Δ-(+)589-[Co{(NH3)(CH3)sar}]}2Cl2(C6(CO2)6)·26H2O (sar = 3,6,10,13,16,19-hexa-azabicyclo[6.6.6]icosane), the benzene hexacarboxylate anion adopts a chiral conformation in the presence of the optically active cation.
A thermally stable alane–secondary amine adduct: [H3Al(2,2,6,6-tetramethylpiperidine)]
Publisher: Royal Society of Chemistry (RSC)
Date: 1994
DOI: 10.1039/C39940000091
Unusual Potassium-η2-Aromatic Interactions in the Crystal Structure of the Diphenylarsenide Transfer Reagent, KAsPh2·2(1,4-Dioxane)
Publisher: CSIRO Publishing
Date: 2013
DOI: 10.1071/CH13314
Abstract: In attempting the metallation of 1,2-bis(diphenylarsino)ethane, the title compound KAsPh2·2(1,4-dioxane) was obtained and characterised with a single crystal X-ray structure determination. Like the sodium counterpart, which is a monosolvate, NaAsPh2·1,4-dioxane, the complex may be considered as a two-dimensional polymer, the potassium atoms being linked by bridging 1,4-dioxane units, the oxygen atoms of which form a quasi-square planar array about the potassium atom (K–O 2.676–2.839(3) Å). Unlike the sodium complex, in which arsenide bridging is an intrinsic motif in the construction of the polymer, the K⋯As distance here is long (3.4662(10) Å), with the anion being terminal/monodentate, and counterposed in what may be considered a quasi-octahedral coordination sphere, by a trans-approach to two atoms of a neighbouring aromatic ring (K⋯C(ar) 3.361, 3.416(4) Å), extending the polymer in the third dimension.
An Air-Stable Nickel(0) Phosphite Precatalyst for Primary Alkylamine C-N Cross-Coupling Reactions
Publisher: Wiley
Date: 11-08-2015
Exploring the Catalytic Reactivity of Nickel Phosphine-Phosphite Complexes
Publisher: CSIRO Publishing
Date: 2015
DOI: 10.1071/CH15459
Abstract: In this study, we present an investigation into various nickel phosphite and phosphite–phosphine complexes for use in the Mizoroki–Heck and Suzuki–Miyaura cross-coupling reactions and the ammonia arylation reaction. In these coupling reactions, it was discovered that the Ni[P(OEt)3]4, (dppf)Ni[P(OPh)3]2, and (binap)Ni[P(OPh)3]2 catalysts were the most effective. In addition, an optimisation process for these catalytic systems as well as functional group compatibility are discussed.
Unexpected Product in the Synthesis of Bis(2-iodo-3-thienyl)methanol: Characterisation of Bis[bis(2-iodo-3-thienyl)methyl]ether
Publisher: Georg Thieme Verlag KG
Date: 06-2006
Novel synthesis of two tert-butyl ketenyl phosphinidine ligands on atrinuclear ruthenium framework. X-Ray structure determination of [Ru3(μ-dppm)(CO)7{μ3-PC( CO)But}2]
Publisher: Royal Society of Chemistry (RSC)
Date: 1997
DOI: 10.1039/A607943A
Coordinating Tectons: Bipyridyl-Terminated Group 8 Alkynyl Complexes
Publisher: American Chemical Society (ACS)
Date: 19-03-2009
DOI: 10.1021/OM800992P
The Chemistry of Transition Metal Ethyne-1,2-diyl Complexes
Publisher: CSIRO Publishing
Date: 2012
DOI: 10.1071/CH12190
Abstract: The chemistry and reactivity of ethyne-1,2-diyl compounds, LnM–CC–MLn, is reviewed. These complexes are simple analogues of organic alkynes, or dimetalloalkynes, and there appears to be no general route to the preparation of these complexes, except perhaps using acid/base methodology. Reactivity patterns, in general, mimic those of simple organic alkynes but have the added dimension of reactive M–C(sp) bonds that sometimes participate in the formation of multimetallic compounds with metal electrophiles.
Coordinating Tectons 4: Coordination Chemistry of the 4,5-Diazafluoren-9-yl Moiety as a Metallo-Ligand for Allenylidene Complexes
Publisher: American Chemical Society (ACS)
Date: 07-10-2015
One-step assembly of Re(i) tricarbonyl 2-pyridyltetrazolato metallacalix[3]arene with aqua emission and reversible three-electron oxidation
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3DT50988E
Abstract: The reaction of 2-pyridyltetrazolate with [Re(CO)5X] (X = Cl, Br) yielded the formation of an unexpected cyclic metallacalix[3]arene, as revealed by X-ray structural studies, characterised by aqua emission and reversible three-electron oxidation.
History and fundamentals of molecular photochromism
Publisher: CSIRO Publishing
Date: 06-09-2023
DOI: 10.1071/CH23115
Hydride-bridged heterobimetallic complexes of gallium and zinc: the first X-ray structural determination of the gah4–moiety
Publisher: Royal Society of Chemistry (RSC)
Date: 1994
DOI: 10.1039/C39940001975
Factors influencing solvent adduct formation by calixarenes in the solid state
Publisher: Royal Society of Chemistry (RSC)
Date: 2004
DOI: 10.1039/B308214H
Abstract: Structural studies of seven very differently functionalised derivatives of calix[4]arene have been used to provide an analysis of the numerous factors which may influence solvent adduct formation by calixarenes. Evidence is presented that even where a solvent guest is included within the calixarene cavity, interactions solely within the cavity cannot be seen as the sole influences upon the guest position and orientation.
Koilands from thiophiles: mercury(ii) clusters from thiacalixarenes
Publisher: Royal Society of Chemistry (RSC)
Date: 18-04-2002
DOI: 10.1039/B201379G
Abstract: Tetra- and hexa-nuclear mercury(II) complexes have been obtained from tetrathiacalix[4]arene and tetramercaptotetrathiacalix[4]arene, respectively, and structurally characterised in the solid state the complexes provide new digonal and trigonal receptors of the koiland type.
Stable nickel(0) phosphites as catalysts for C-N cross-coupling reactions
Publisher: Wiley
Date: 28-05-2014
Reactions of metalloalkynes 5: reinvestigation of the reaction of [{Ru(CO)2(η-C5H4R)}2(μ-CC)] with [Ru3(CO)10(μ-dppm)]
Publisher: Elsevier BV
Date: 12-1999
Deprotonation of Large Calixarenes – Cation Binding and Conformations
Publisher: CSIRO Publishing
Date: 2016
DOI: 10.1071/CH15761
Abstract: Single crystal X-ray studies of p-t-butylcalix[10]arene·2dmso·7H2O (1) and [NMe4][p-t-butylcalix[9]arene-H]·2dmso·H2O (2), provide new data on these large macrocycles and their conformations, that of 2 being the first where an encapsulated [NMe4]+ cation is present, while 1 contains the neutral ligand. Both were obtained as crystalline products of the reactions of the calixarenes with tetramethylammonium hydroxide after prolonged standing. The structure of [NEt4][calix[4]arene-H], in which the cation approaches inclusion in the shallow cone of the anion, is also defined and compared with various other alkylammonium derivatives of calixarenes as well as that of p-t-butylcalix[9]arene.
Reactions of metalloalkynes 3. Facile synthesis of pentanuclear ruthenium clusters. X-ray structures of [Ru5(μ5-CC)(η-C5H4R)2(dppm)(μ2-CO)2(CO)7] (R=H, CH3)
Publisher: Elsevier BV
Date: 08-1998
Structural Systematics for Lanthanide(III) Systems: Lattice Interactions in Salts [CoL3][Ln(dipic)3]·nH2O (L = N,N′‐Aromatic Bidentate Ligand; dip
Publisher: Wiley
Date: 04-2010
Enhanced bi-stability in a ruthenium alkynyl spiropyran complex
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C5DT01107H
Abstract: Attachment of a ruthenium alkynyl unit to a spiropyran ligand extends the lifetime of the merocyanine form of the complex more than twenty-fold.
Transformation of C2 units on a bimetallic tetranuclear cluster.
Publisher: Elsevier BV
Date: 07-2005
Multifunctional switching properties of “wire-like” dinuclear ruthenium bis-alkynyl spiropyran complexes
Publisher: Royal Society of Chemistry (RSC)
Date: 2023
DOI: 10.1039/D2DT03045D
Abstract: Whilst inert to electrochemical stimulus, acid-induced ring-opening of an ethynyl spiropyran ligand in Ru complexes proceeds to form the protonated merocyanine, that can be switched from the Z - to E -form by UV light.
4,4′-Bithiazoles as Ligands: Crystal and Molecular Structure of bis(O,O′-Nitrato)(2,2′-diphenyl-4,4′-bithiazole)copper(II) (Two Polymorphs)
Publisher: CSIRO Publishing
Date: 2003
DOI: 10.1071/CH03016
Abstract: A low-temperature single-crystal X-ray structure determination of the 1 : 1 adduct of copper(II) nitrate with 2,2′-diphenyl-4,4′-bithiazole (L) shows it to be a molecular complex with L behaving as a symmetrical N,N′ chelate, and the nitrate groups as unsymmetrical O,O′ chelates: [LCu(O2NO)2]. Two polymorphs, both monoclinic P21/c, have been obtained from acetonitrile (‘α’) and methanol (‘β’), respectively, with one molecule, devoid of crystallographic symmetry, in the asymmetric unit of each structure. The copper environments are distorted planar four-coordinate, cis-N2CuO2 (Cu–N 2.011(1), 1.973(1), Cu–O 1.995(1), 1.962(1) Å), ‘in-plane’ angle sum Σ 369.5°, with longer trans, axial contacts (Cu–O 2.455(1), 2.458(2) Å) for the α-form respective values are 1.995(5), 1.991(4), 1.997(4), 1.973(3) Å, 360.4°, 2.500(4), and 2.396(4) Å for the β-form.
Long tailed cage amines: Synthesis, metal complexation, and structure
Publisher: Royal Society of Chemistry (RSC)
Date: 2010
DOI: 10.1039/B921930G
Abstract: The generation of hiphiles derived from macrobicyclic hexamines of the "sarcophagine" class can be prepared through efficient and selective reactions involving the reductive alkylation, using long-chain aldehydes, of amino-functionalised sarcophagines when bound to Cu(ii) or Mg(ii). The Mg(ii) pathway is particularly convenient for the ultimate isolation of the free ligands, which can then be used to form metallo hiphiles with a variety of metal ions. Structural studies have been made of one of the free (protonated) ligands and some of their complexes.
2,7- and 4,9-Dialkynyldihydropyrene Molecular Switches: Syntheses, Properties, and Charge Transport in Single-Molecule Junctions
Publisher: American Chemical Society (ACS)
Date: 29-06-2022
DOI: 10.1021/JACS.2C02289
Abstract: This paper describes the syntheses of several functionalized dihydropyrene (DHP) molecular switches with different substitution patterns. Regioselective nucleophilic alkylation of a 5-substituted dimethyl isophthalate allowed the development of a workable synthetic protocol for the preparation of 2,7-alkyne-functionalized DHPs. Synthesis of DHPs with surface-anchoring groups in the 2,7- and 4,9-positions is described. The molecular structures of several intermediates and DHPs were elucidated by X-ray single-crystal diffraction. Molecular properties and switching capabilities of both types of DHPs were assessed by light irradiation experiments, spectroelectrochemistry, and cyclic voltammetry. Spectroelectrochemistry, in combination with density functional theory (DFT) calculations, shows reversible electrochemical switching from the DHP forms to the cyclophanediene (CPD) forms. Charge-transport behavior was assessed in single-molecule scanning tunneling microscope (STM) break junctions, combined with density functional theory-based quantum transport calculations. All DHPs with surface-contacting groups form stable molecular junctions. Experiments show that the molecular conductance depends on the substitution pattern of the DHP motif. The conductance was found to decrease with increasing applied bias.
Cages on Surfaces: Thiol Functionalisation of CoIII Sarcophagine Complexes
Publisher: Wiley
Date: 2007
Making mixtures to solve structures: structural elucidation via combinatorial synthesis
Publisher: American Chemical Society (ACS)
Date: 14-12-2010
DOI: 10.1021/CC900134T
Abstract: A domino Horner-Wadsworth-Emmons olefination strategy has been used to prepare homologous series of (polyen)ones, and through combinatorial elaboration, corresponding families of highly branched hydrocarbons. Gas chromatography-mass spectrometry of the mixtures has enabled the rapid and unambiguous identification of several highly branched alkanes of geochemical importance. This is the first ex le of the use of combinatorial synthesis for the elucidation of structural connectivity.
A Merry Dance Across the π-Cloud: Tracking the Transformation of a 2,7-Substituted Dihydropyrene Through a Thermally Stimulated Single-Crystal-to-Single-Crystal Reaction
Publisher: American Chemical Society (ACS)
Date: 21-10-2021
Coordinating tectons: Bipyridyl terminated allenylidene complexes
Publisher: American Chemical Society (ACS)
Date: 19-03-2008
DOI: 10.1021/OM700824G
Tertiary phosphine adducts of alane and gallane
Publisher: Elsevier BV
Date: 05-1993
Synthesis and characterisation of trinuclear metal complexes derived from carboxymethyl-substituted sarcophagine macrobicyclic cage amines
Publisher: Springer Science and Business Media LLC
Date: 08-2009
Insights into Host–Guest Binding in Hydroquinone Clathrates: Single-Crystal X-ray and Neutron Diffraction, and Complementary Computational Studies on the Hydroquinone-CO2 Clathrate
Publisher: American Chemical Society (ACS)
Date: 11-05-2021
Host Perturbation in a β-Hydroquinone Clathrate Studied by Combined X-ray/Neutron Charge-Density Analysis: Implications for Molecular Inclusion in Supramolecular Entities
Publisher: Wiley
Date: 14-05-2014
Abstract: X-ray/neutron (X/N) diffraction data measured at very low temperature (15 K) in conjunction with ab initio theoretical calculations were used to model the crystal charge density (CD) of the host-guest complex of hydroquinone (HQ) and acetonitrile. Due to pseudosymmetry, information about the ordering of the acetonitrile molecules within the HQ cavities is present only in almost extinct, very weak diffraction data, which cannot be measured with sufficient accuracy even by using the brightest X-ray and neutron sources available, and the CD model of the guest molecule was ultimately based on theoretical calculations. On the other hand, the CD of the HQ host structure is well determined by the experimental data. The neutron diffraction data provide hydrogen anisotropic thermal parameters and positions, which are important to obtain a reliable CD for this light-atom-only crystal. Atomic displacement parameters obtained independently from the X-ray and neutron diffraction data show excellent agreement with a |ΔU| value of 0.00058 Å(2) indicating outstanding data quality. The CD and especially the derived electrostatic properties clearly reveal increased polarization of the HQ molecules in the host-guest complex compared with the HQ molecules in the empty HQ apohost crystal structure. It was found that the origin of the increased polarization is inclusion of the acetonitrile molecule, whereas the change in geometry of the HQ host structure following inclusion of the guest has very little effect on the electrostatic potential. The fact that guest inclusion has a profound effect on the electrostatic potential suggests that nonpolarizable force fields may be unsuitable for molecular dynamics simulations of host-guest interaction (e.g., in protein-drug complexes), at least for polar molecules.
Coordinating Tectons. Experimental and Computational Infrared Data as Tools To Identify Conformational Isomers and Explore Electronic Structures of 4-Ethynyl-2,2′-bipyridine Complexes
Publisher: American Chemical Society (ACS)
Date: 04-05-2017
Intermolecular interactions and electrostatic properties of the β-hydroquinone apohost: Implications for supramolecular chemistry
Publisher: American Chemical Society (ACS)
Date: 03-08-2011
DOI: 10.1021/JP2041789
Abstract: The crystal structure of the β-polymorph of hydroquinone (β-HQ), the apohost of a large family of clathrates, is reported with a specific focus on intermolecular interactions and the electrostatic nature of its cavity. Hirshfeld surface analysis reveals subtle close contacts between two interconnecting HQ networks, and the local packing and related close contacts were examined by breakdown of the fingerprint plot. An experimental multipole model containing anisotropic thermal parameters for hydrogen atoms has been successfully refined against 15(2) K single microcrystal synchrotron X-ray diffraction data. The experimental electron density model has been compared with a theoretical electron density calculated with the molecule embedded in its own crystal field. Hirshfeld charges, interaction energies and the electrostatic potential calculated for both models are qualitatively in good agreement, but small differences in the electrostatic potential persist due to charge transfer from all hydrogen atoms to the oxygen atoms in the theoretical model. The electrostatic potential in the center of the cavity is positive, very shallow and highly symmetric, suggesting that the inclusion of polar molecules in the void will involve a balance between opposing effects. The electric field is by symmetry zero in the center of the cavity, increasing to a value of 0.0185 e/Å(2) (0.27 V/Å) 1 Å along the 3-fold axis and 0.0105 e/Å(2) (0.15 V/Å) 1 Å along the perpendicular direction. While these values are substantial in a macroscopic context, they are quite small for a molecular cavity and are not expected to strongly polarize a guest molecule.
Alkali Metal Complexes of Aromatic Polycarboxylates—a Balance of π-Stacking and Coordinate Bonding Interactions?
Publisher: Informa UK Limited
Date: 06-2003
Carbon-Rich Trinuclear Octamethylferrocenophanes
Publisher: American Chemical Society (ACS)
Date: 05-03-2019
DOI: 10.1021/ACS.INORGCHEM.8B03389
Abstract: Several trinuclear ferrocenes are obtained by Friedel-Crafts reaction of octamethylferrocene with ferrocenoyl chloride and subsequent modifications. 1,1'-Diferrocenoyloctamethylferrocene (3) is transformed to the inyl derivative (4a) by reaction with MeLi and AlCl
Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound
Publisher: Royal Society of Chemistry (RSC)
Date: 2011
DOI: 10.1039/C0CC04418K
Abstract: The title compound undergoes two order-disorder transitions between 15 and 299 K, dictated by ordering of the guest molecules in the host cages, and resulting in three related crystal structures. We anticipate behaviour of this kind to be widespread, and speculate that the concept of "the crystal structure" for in idual Dianin's clathrates may be elusive.
Control over cyclisation sequences of 1,1′-bifunctional octamethylferrocenes to ferrocenophanes
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7DT02037F
Abstract: This paper describes the facile synthesis of a number of electron rich octamethyl[1.4]ferrocenophanes with unsaturated handles from 1,1′-bis(1-chlorovinyl)octamethylferrocene.
Broad distributions of relaxation times in FePt nanoparticles
Publisher: AIP Publishing
Date: 12-05-2005
DOI: 10.1063/1.1853932
Abstract: Results from magnetic viscosity experiments on chemically synthesized magnetic nanoparticles are presented. Our synthesized Fe20Pt80 particles are distinguished by a narrow size distribution but display features associated with broad distributions of activation rates. Results are presented from viscosity measurements in which the remnant magnetization is measured at different times after the removal of a static field, and studied as a function of temperature. We discuss how these results may be analyzed in terms of activation rate distributions for thermal activated reversal processes after the application and removal of a field. A method for the extraction of energy barrier distributions from directly measured time dependent data is presented.
Reactions of transition metal σ-acetylide complexes
Publisher: Elsevier BV
Date: 06-1987
Reactions of metalloalkynes.‡ The reaction of the ethyne-1,2-diyl complex, [{Ru(CO)2(η-C5H5)}2(μ-C≡C)], with [Mo2(CO)4(η-C5H5)2]. An example of μ3,η1-C≡C coordination of a carbide ligand
Publisher: Royal Society of Chemistry (RSC)
Date: 1998
DOI: 10.1039/A801744A
Calixarenes as Cluster Keepers
Publisher: Springer Netherlands
Date: 2007
Reactions of metalloalkynes. New C2 bonding mode in a trimetallic complexElectronic supplementary information (ESI) available: Synthesis and characterisation of complexes 4a and 4b. See http://www.rsc
Publisher: Royal Society of Chemistry (RSC)
Date: 27-08-2002
DOI: 10.1039/B110930H
Abstract: The reaction of the silver complexes [((Ru(CO)2(eta-C5H4R))2(mu-C identical to C))3Ag3][BF4]3 (R = H or Me) with [RuCl(CO)2(eta-C5H4R)] at room temperature gave the new trimetallic complexes [(Ru(CO)2(eta-C5H4R))3(eta 1:eta 2-C identical to C))][BF4] which contain the C2(2-) ligand surrounded by ruthenium atoms these complexes do not contain metal-metal bonds and were characterised by single crystal X-ray studies the solid state structure is not retained in solution, where it is found to be fluxional on the NMR timescale and the dynamic process postulated could be described as 'bearing-like'.
Elucidating the mechanism of the Ley–Griffith (TPAP) alcohol oxidation
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7SC04260D
Abstract: The mechanism of the Ley–Griffith alcohol oxidation has been elucidated using time-resolved spectroscopic methods.
Wormlike Micelles from a Cage Amine Metallosurfactant
Publisher: American Chemical Society (ACS)
Date: 19-10-2007
DOI: 10.1021/LA701283B
Abstract: We have shown that copper and cobalt metallosurfactants derived from Cu(II) and Co(III) complexes of a macrobicyclic hexamine ("cage") can form wormlike micelles in aqueous solution that may coexist with or easily interconvert with vesicle structures. The cylindrical micelle structures are unusual for triple-chain surfactants with a single headgroup and are not easily accounted for using geometrical packing arguments. The solution behavior has been characterized by cryo-TEM and SAXS measurements. Both the Cu and Co compounds display viscoelastic solutions at 1 wt %, indicating that such behavior may be anticipated for the full variety of stable metal complexes formed by the cage headgroup, auguring applications based on the incorporation of metallo aggregates into mesoporous silica structures.
Clusters as ligands: Synthesis, structure and coordination chemistry of ruthenium clusters derived from 4- and 5-ethynyl-2,2′-bipyridine
Publisher: Elsevier BV
Date: 06-2016
Polydentate tertiary amine aluminium hydride adducts: monomeric versus polymeric species
Publisher: Royal Society of Chemistry (RSC)
Date: 1992
DOI: 10.1039/C39920000541
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