ORCID Profile
0000-0001-7840-2139
Current Organisations
Universitat de les Illes Balears
,
Universitat de les Illes Balears Departament de Química
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Publisher: International Union of Crystallography (IUCr)
Date: 17-10-2018
DOI: 10.1107/S2053229618009580
Abstract: As an extension of our continued interest in the preparation of inorganic–organic hybrids, we report the successful hydrothermal synthesis of sodium tris[triaqua(μ-1,10-phenanthroline-2,9-dicarboxylato)dysprosium(III)] silicododecatungstate dodecahydrate, {[DyNa(C 14 H 6 N 2 O 4 ) 3 (H 2 O) 9 (SiW 12 O 40 )]·12H 2 O} n or Na[Dy(PDA)(H 2 O) 3 ] 3 [SiW 12 O 40 ]·12H 2 O ( 1 ), and sodium aqua tris[tetraaqua(μ-4-hydroxypyridine-2,6-dicarboxylato)praseodymium(III)] silicododecatungstate dodecahydrate, {[NaPr(C 7 H 3 NO 5 ) 3 (H 2 O) 13 (SiW 12 O 40 )]·12H 2 O} n or Na(H 2 O)[Pr(pydc-OH)(H 2 O) 4 ] 3 [SiW 12 O 40 ]·12H 2 O ( 2 ) (in which H 2 PDA is 1,10-phenanthroline-2,9-dicarboxylic acid and H 2 pydc-OH is 4-hydroxypyridine-2,6-dicarboxylic acid or chelidamic acid). Both compounds have been characterized using elemental analysis, IR spectroscopy and X-ray diffraction methods. Structural characterization by single-crystal X-ray diffraction reveals that these compounds consist of [SiW 12 O 40 ] 4− Keggin-type polyoxometalates (POMs), where a single {W 3 O 13 } triad is decorated with a trinuclear Ln complex. Moreover, the decorated polyanions are involved in a series of intermolecular interactions, such as hydrogen bonds and anion–π interactions, resulting in three-dimensional supramolecular architectures. Density functional theory (DFT) studies were conducted to support these intermolecular interactions in both 1 and 2 , and have been rationalized using molecular electrostatic potential (MEP) surface calculations.
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C8CE00110C
Abstract: We report the synthesis and X-ray characterization of four new Pb( ii ) complexes of nicotinoylhydrazone and picolinoylhydrazone-based ligands and three different anionic co-ligands (acetate, thiocyanate and iodide) exhibiting relevant tetrel bonding interactions.
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1CC01505B
Abstract: A range of Nucleophilic Iodonium Interaction (NII) complexes were synthesised by partial cation exchange, leading to the observation of the first NII-complex involving a 2-coordinate silver( i ) complex.
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1DT01437D
Abstract: Iodonium complexes incorporating the bicyclic tertiary amine quinuclidine or the monocyclic tertiary amine 1-ethylpiperidine have been synthesised and characterised, both experimentally and through computational calculations.
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0DT03938A
Abstract: The synthesis and X-ray characterization of two new tri-coordinated Hg complexes where the planar Hg atom participates in π-hole spodium bonding.
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0CC02758H
Abstract: The first ex les of unrestrained asymmetric silver( i ) and halonium complexes have been prepared and characterised.
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2RA01390H
Abstract: The silver( i ) and iodine( i ) complexes of two sterically bulky 2-substituted pyridines, along with their potential protonated side products, were synthesised to investigate the steric limitations of iodine( i ) ion formation.
Publisher: Elsevier BV
Date: 2024
Publisher: American Chemical Society (ACS)
Date: 28-05-2008
DOI: 10.1021/IC800215R
Abstract: The polydentate ligand 2,4,6-tris(dipyridin-2-ylamino)-1,3,5-triazine (dpyatriz) in combination with the Cu(ClO 4) 2/CuX 2 salt mixtures (X (-) = Cl (-), Br (-), or N 3 (-)) leads to the formation of molecular coordination aggregates with formulas [Cu 3Cl 3(dpyatriz) 2](ClO 4) 3 ( 2), [Cu 3Br 3(dpyatriz) 2](ClO 4) 3 ( 3), and [Cu 4(N 3) 4(dpyatriz) 2(DMF) 4(ClO 4) 2](ClO 4) 2 ( 4). These complexes consist of two dpyatriz ligands bridged via coordination to Cu (II) and disposed either face-to-face in an eclipsed manner ( 2 and 3) or parallel and mutually shifted in one direction. The copper ions complete their coordination positions with Cl (-) ( 2), Br (-) ( 3), or N 3 (-), ClO 4 (-), and N, N-dimethylformamide (DMF) ( 4) ligands. All complexes crystallize together with noncoordinate ClO 4 (-) groups that display anion...pi interactions with the triazine rings. These interactions have been studied by means of high level ab initio calculations and the MIPp partition scheme. These calculations have proven the ClO 4 (-)...[C 3N 3] interactions to be favorable and have revealed a synergistic effect from the combined occurrence of pi-pi stacking of triazine rings and the interaction of these moieties with perchlorate ions, as observed in the experimental systems.
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6DT03139K
Abstract: New Fe( iii ) complex features remarkable supramolecular assembly, antiferromagnetic exchange coupling, and ordering temperature.
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2CC00994C
Abstract: The interaction of a [bis(pyridine)iodine( i )] + cation with a [bis(pyridine)silver( i )] + cation, in which an iodonium ion acts as a nucleophile by transferring electron density to the silver( i ) cation, is reinvestigated herein.
Publisher: American Chemical Society (ACS)
Date: 13-09-2012
DOI: 10.1021/IC3014688
Abstract: The ability of Ni(II) coordinated 4-pyrrolyl-3,5-di(2-pyridyl)-1,2,4-triazole (pldpt) to establish multiple anion-π interactions is analyzed. Experimentally, such complexes were previously shown to form strong anion-π interactions, including "π-pocket" and "π-sandwiched" motifs, in the crystal lattice. In the latter, the triazole ring is "sandwiched" by two anions forming a ternary anion-π-anion assembly (π-sandwich) which, surprisingly, gave about 0.2 Å shorter anion-π distances than in binary assemblies (where only one side of the triazole participates in the anion binding), indicating the possibility of cooperativity. In depth analysis, using dispersion-corrected density functional theory (DFT, BP86-D/def2-TZVP level of theory), shows that this ternary anion-π-anion interaction is slightly less energetically favorable than the binary anion-π interactions in isolation. Hence, the sandwich interaction is not cooperative (E(coop) is positive), but, as E(coop) contributes less than 1.5% of the total interaction energy (which is dominated by the strong electrostatic attraction of the anions to the highly π-acidic Ni(II)-coordinated triazole ring), the presence of nonclassical C-H···anion hydrogen bonds can offset this, making the short anion-π sandwich interactions the most favorable solid state conformation.
Publisher: Royal Society of Chemistry (RSC)
Date: 2023
DOI: 10.1039/D3CE00590A
Abstract: A CSD survey reveals the presence of Hg⋯S interactions within zero-, one- and two-dimensional aggregation patterns in non-organomercury crystals. Theory confirms the stabilising nature of σ-/π-holes or positive belts formed at the mercury atom.
Publisher: American Chemical Society (ACS)
Date: 25-03-2021
Location: Spain
No related grants have been discovered for Antonio Frontera.