Issue 2, 2000

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

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.

Article information

Article type
Letter
Submitted
03 Dec 1999
Accepted
09 Dec 1999
First published
07 Feb 2000

New J. Chem., 2000,24, 77-80

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

K. M. Smith, R. Poli and J. N. Harvey, New J. Chem., 2000, 24, 77 DOI: 10.1039/A909646I

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