Title

Ligand dissociation accelerated by spin state change: Locating the minimum energy crossing point for phosphine exchange in CpMoCl2(PR3)2 complexes

Document Type

Article

Publication Date

1-1-2000

Abstract

The minimum energy crossing point between the doublet and quartet potential energy surfaces of CpMoCl2(PH3)2 is calculated to lie 4.8 kcal mol-1 lower in energy than the doublet dissociative intermediate CpMoCl2(PH3). Implications for the influence of spin state changes on the rates of organometallic reactions are discussed.

Publication Source (Journal or Book title)

New Journal of Chemistry

First Page

77

Last Page

80

This document is currently not available here.

Share

COinS