Ligand dissociation accelerated by spin state change: locating the minimum energy crossing point for phosphine exchange in CpMoCl2(PR3)2 complexes
- 7 February 2000
- journal article
- letter
- Published by Royal Society of Chemistry (RSC) in New Journal of Chemistry
- Vol. 24 (2) , 77-80
- https://doi.org/10.1039/a909646i
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.Keywords
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