ORCID Profile
0000-0003-4104-8767
Current Organisation
Hong Kong University of Science and Technology
Does something not look right? The information on this page has been harvested from data sources that may not be up to date. We continue to work with information providers to improve coverage and quality. To report an issue, use the Feedback Form.
Publisher: Elsevier BV
Date: 09-2007
Publisher: American Chemical Society (ACS)
Date: 28-10-2006
DOI: 10.1021/OM0607705
Publisher: American Chemical Society (ACS)
Date: 07-2006
DOI: 10.1021/OM060236X
Publisher: Wiley
Date: 03-08-2017
Abstract: Boroles undergo dimerization reactions to give Diels-Alder (DA) dimers, bridged-bicyclic (BB) dimers or spiro dimers (SD) depending on the substituents on the borole. We performed DFT calculations to investigate how different substituents at the carbon atoms of the butadiene backbone as well as at the boron atom influence the dimerization reaction pathways. The DFT results show that, in general, both the DA and BB dimers are easily accessible kinetically, and the DA dimers are thermodynamically more stable than the BB dimers. When the substituent-substituent repulsive steric interactions are alleviated to a certain extent, the BB dimers are more stable than the DA dimer, and become accessible. The SD dimers are generally kinetically difficult to obtain. However, we found that aryl substituents promote the formation of the SD dimers.
Publisher: American Chemical Society (ACS)
Date: 13-03-2007
DOI: 10.1021/OM061045X
Publisher: American Chemical Society (ACS)
Date: 22-10-2008
DOI: 10.1021/OM800558W
Publisher: American Chemical Society (ACS)
Date: 15-01-2005
DOI: 10.1021/OM049256U
Publisher: American Chemical Society (ACS)
Date: 16-06-2005
DOI: 10.1021/OM050257B
Publisher: American Chemical Society (ACS)
Date: 27-12-2007
DOI: 10.1021/OM7009446
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C7RA11997F
Abstract: Both chiral hands of bis(salicylato)borate anion [B S (Sal) 2 ] and [B R (Sal) 2 ] are isolated and CD spectroscopy indicates they can be configurationally stable.
Publisher: American Chemical Society (ACS)
Date: 10-01-2006
DOI: 10.1021/OM050703V
Publisher: American Chemical Society (ACS)
Date: 05-04-2005
DOI: 10.1021/OM050161H
Publisher: American Chemical Society (ACS)
Date: 08-09-2006
DOI: 10.1021/JA063944I
Abstract: The reaction mechanism of the Pd-catalyzed benzyl/allyl coupling of benzyl chloride with allyltributylstannan, resulting in the dearomatization of the benzyl group, was studied using density functional theory calculations at the B3LYP level. The calculations indicate that the intermediate (eta(3)-benzyl)(eta(1)-allyl)Pd(PH(3)) is responsible for the formation of the kinetically favored dearomatic product. Reductive elimination of the dearomatic product from the intermediate occurs by coupling the C-3 terminus of the eta(1)-allyl ligand and the para-carbon of the eta(3)-benzyl ligand in (eta(3)-benzyl)(eta(1)-allyl)Pd(PH(3)). For comparison, various C-C coupling reaction pathways have also been examined.
Publisher: Elsevier BV
Date: 10-2006
Publisher: American Chemical Society (ACS)
Date: 25-09-2003
DOI: 10.1021/OM030434D
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C5CC04977F
Abstract: Cations of tetrahydropalmatine (THP), 1,2-diaminopropane (1,2-dap) and [Co(phen) 3 ] 3+ are all readily resolved by the red [B S ( R -Man) 2 ] anions with % ee in 1 easy step.
Publisher: Royal Society of Chemistry (RSC)
Date: 2011
DOI: 10.1039/C0DT01221A
Abstract: The electronic structure of so-called 'xenophilic' clusters, which contain both organometallic fragments and Werner-type paramagnetic transition metal centres, presents a challenge to simple theories of bonding. Density functional theory shows clearly that the cluster Mn(2)(thf)(4)(Fe(CO)(4))(2) is best described as an exchange-coupled Mn(II)(2) dimer, the closed-shell organometallic [Fe(CO)(4)](2-) fragments acting simply as bridging ligands. The high-spin configuration of the Mn(II) ions leads to single occupation of the Mn-Fe σ* orbitals and therefore substantially weaker metal-metal bonding than in conventional low-valent organometallic clusters. The transition metal fragments are effective mediators of superexchange (J(calc) = -44 cm(-1)), leading to the measured effective magnetic moment of ~5 μ(B) at 300 K, considerably lower than the limiting value of 8.37 μ(B) for two uncoupled S = 5/2 Mn(II) centres.
Publisher: American Chemical Society (ACS)
Date: 08-09-2005
DOI: 10.1021/OM050577V
Publisher: American Chemical Society (ACS)
Date: 02-11-2005
DOI: 10.1021/OM050557T
Location: China
Location: United Kingdom of Great Britain and Northern Ireland
No related grants have been discovered for Zhenyang Lin.