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L‘ = CO vs Cl<sup>-</sup> Transposition: Remarkable Consequences for the Product of (L‘)−Ru(L)<sub>2</sub>-(H) and Vinyl Ether
Journal article   Peer reviewed

L‘ = CO vs Cl- Transposition: Remarkable Consequences for the Product of (L‘)−Ru(L)2-(H) and Vinyl Ether

Dejian Huang, Hélène Gérard, Eric Clot, Victor Young Jr., William E. Streib, Odile Eisenstein and Kenneth G. Caulton
Organometallics, Vol.18, pp.5441-5443
20/12/1999
DOI: https://doi.org/10.1021/om990649g

Abstract

MOLECULAR CALCULATIONS POTENTIALS
The products of reaction of H2C=CN(OR) with RuH(Cl)L-2 (L = (PPr3)-Pr-i) and RuH(CO)L-2(+) (L = P-t-Bu2Me) are RuH(Cl)(=C(OR)Me)L-2 and Ru(CO)(CH2CH2OR)L-2(+), respectively. Spectroscopic data and X-ray analysis (R = Me, B[C6H3(CF3)(2)](4) salt, hemi(pentane) solvate) reveal the presence, in the latter, of a beta-alkoxy ethyl ligand with a Ru-O bond. DFT (B3PW91) calculations show that the observed products correspond to the thermodynamic preference.
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