Please use this identifier to cite or link to this item: http://hdl.handle.net/2440/4656
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Type: Journal article
Title: Migration of a phenyl group from co-ordinated CH₂(PPh₂)₂ to an acetylide on an Ru₃ cluster: crystal structure of [Ru₃(µ-H)(µ3-PPhCH₂PPh₂)(µ₃-PhC₂But)(CO)₆]
Other Titles: Migration of a phenyl group from co-ordinated CH(2)(PPh(2))(2) to an acetylide on an Ru(3) cluster: crystal structure of [Ru(3)(mu-H)(mu3-PPhCH(2)PPh(2))(mu(3)-PhC(2)But)(CO)(6)]
Author: Bruce, M.
Humphrey, P.
Skelton, B.
White, A.
Costuas, K.
Citation: Journal of the Chemical Society, Dalton Transactions, 1999; 3(3):479-486
Issue Date: 1999
ISSN: 0300-9246
1364-5447
Statement of
Responsibility: 
Michael I. Bruce, Paul A. Humphrey, Brian W. Skelton, Allan H. White, Karine Costuas and Jean-François Halet
Abstract: Thermolysis (refluxing toluene, 60 h) of [Ru3(µ-H)(µ3-C2But)(µ-dppm)(CO)7] resulted in phenyl transfer from co-ordinated dppm to the µ3-acetylide to give [Ru3(µ-H)(µ3-PPhCH2PPh2)(µ3-PhC2But)(CO)6] in 41% yield, fully characterised by X-ray determinations of thf and CH2Cl2 monosolvates. The alkyne is co-ordinated to the Ru3 cluster such that the C(1)–C(2) vector forms an angle of 23° with the Ru(1)–Ru(2) vector. This distortion brings two C atoms of the alkyne Ph group close to Ru(2). Density functional and extended Hückel calculations carried out on the new compound indicated that the unusual co-ordination of the alkyne ligand can be attributed to the stereoelectronic asymmetry of the metallic fragment.
Rights: Copyright status unknown
RMID: 0030002885
DOI: 10.1039/A807008C
Appears in Collections:Chemistry publications

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