Journal ArticleDOI
Reactions of MH(OTf)(NBD)(PPh3)2 (M ) Ru, Os) with H2
Shu Tak Lo,Zhitao Xu,Ting-Bin Wen,Weng Sang Ng,Sheng Hua Liu,Zhong Yuan Zhou,Zhenyang Lin,Chak Po Lau, ,‡ and,Guochen Jia +8 more
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TLDR
In this article, two reaction pathways for the conversion of [RuH(H2)(NBD)(PH3)2]- to RuH(NBE)(PH 3)2]+ (NBE = norbornene) have been studied by density functional theory calculations.About:
This article is published in Organometallics.The article was published on 2000-09-27. It has received 6 citations till now. The article focuses on the topics: Norbornadiene & Norbornene.read more
Citations
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Journal ArticleDOI
Transfer of hydrogen, oxygen, or both hydrogen and oxygen to unsaturated substrates from [ReH2(O)(Cyttp)]+ (Cyttp=PhP(CH2CH2CH2PCy2)2)
TL;DR: In this article, it was shown that the formation of 3(SbF6) takes place by two pathways, viz., with or without 2(Sf6) intermediate.
Journal ArticleDOI
Synthesis and protonation of RuH(NBD)(2,6-(Ph2PCH2)(2)C6H3)
TL;DR: In this paper, the authors showed that hydrogen transfer from the dihydrogen to the NBD ligand of [Ru(H2)(NBD)(PCP)]+ proceeds through a stepwise mechanism.
Journal ArticleDOI
Protonation reactions of MH(Cl)(PPh3)(2)(norbornadiene) (M = Ru, Os)
Sheng Hua Liu,Sheng-Yong Yang,Shu Tak Lo,Zhitao Xu,Weng Sang Ng,Ting-Bin Wen,Zhong Yuan Zhou,Zhenyang Lin,Chak Po Lau,Guochen Jia +9 more
TL;DR: Protonation of [RuH(Cl)(PPh3)2(NBD)] (NBD = norbornadiene) in benzene with a limiting amount of HOTf gives [RuCl2(PPh 3)2]2] as discussed by the authors.
Journal ArticleDOI
Formation of New σ-Norbornenylrhodium(III) Complexes Promoted by Quinoline-8-carbaldehyde and Their Rearrangement into Nortricyclylrhodium(III) Derivatives. Formation of Norbornene and Nortricyclene
Montserrat Barquín,María A. Garralda,Lourdes Ibarlucea,Claudio Mendicute-Fierro,Elena Pinilla,Virginia San Nacianceno,M. Rosario Torres +6 more
TL;DR: In this paper, it was shown that quinoline-8-carbaldehyde (C9H6NCHO) reacts with N-donor ligands to give dinuclear rhodium(III) complexes [RhCl(Nbd)]2 (Nbd = norbornadiene).
Book ChapterDOI
Dihydrogen Metal Complexes in Catalysis
TL;DR: In this article, the transition-metal complexes containing an intact dihydrogen ligand were studied and a new free coordination site was generated for the activation of further H2 that ultimately brings about the hydrogenolysis of the M-C bond yielding either alkane or alkene and M-H.
References
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Journal ArticleDOI
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
P. Jeffrey Hay,Willard R. Wadt +1 more
TL;DR: In this article, effective core potentials (ECP) have been derived to replace the innermost core electron for third row (K), fourth row (Rb-Ag), and fifth row (Cs-Au) atoms.
Book
Gaussian Basis Sets for Molecular Calculations
TL;DR: Huzinaga et al. as mentioned in this paper provided information pertinent to the Gaussian basis sets, with emphasis on lithium, radon, and important ions, and discussed the polarization functions prepared for lithium through radon for further improvement of the basis sets.
Journal ArticleDOI
Reactions of transition metal dihydrogen complexes
TL;DR: A review of dihydrogen-dihydride reactions can be found in this article, where the authors present a line-shape analysis of a three-hydrogen system M(H,)H.
Journal ArticleDOI
Characterization of the first examples of isolable molecular hydrogen complexes, M(CO)3(PR3)2(H2) (M = molybdenum or tungsten; R = Cy or isopropyl). Evidence for a side-on bonded dihydrogen ligand
TL;DR: In this article, the first isolable transition-metal complexes containing a coordinated dihydrogen molecule was reported, characterized by a variety of spectroscopic and structural methods to possess n/sup 2/bonded hydrogen.
Journal ArticleDOI
Transition Metal Complexation of σ Bonds
TL;DR: In contrast with the more familiar π-donor complexes such as M(CH2CH2) and complexes like MNH3, in which the one pair of electrons on the N atom is bound to the metal atom, in a σ complex an XH group binds to the transition metal atom; the XH σ bonding electron pair acts as a 2e donor to give an (X-H)-M type complex as discussed by the authors.