Title

Bonding in VClx(CH3CN)3-x6-x

Abstract

Solutions of vanadium(III) chloride in acetonitrile contain the solvate VCl3(CH3CN)3. NMR spectra indicate that bound solvent molecules exchange positions with bulk solvent molecules in two distinct processes. One proposal claims that these two processes are due to separate exchange rates for the facial and meridional isomers of VCl3(CH3CN)3. Another suggestion that has been made is that the two different types of acetonitrile molecules in meridional VCl3(CH3CN)3 undergo chemical exchange at different rates, and that no facial VCl3(CH3CN)3 is involved. Extended Hückel calculations have been done in order to examine the bonding in facial and meridional VCl3(CH3CN)3. The results suggest that acetonitrile molecules trans to Cl atoms have one rate of exchange, while those trans to another acetonitrile have a different rate, regardless of which isomer is present. Calculations have been done on other vanadium, chlorine, acetonitrile species in order to clarify the effect of changing the trans or the cis neighbor. © 1988.

Department(s)

Chemistry

Document Type

Article

DOI

https://doi.org/10.1016/S0020-1693(00)86083-1

Publication Date

9-15-1988

Journal Title

Inorganica Chimica Acta

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