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
Recommended Citation
Smith, K., Poli, R., & Harvey, J. (2000). Ligand dissociation accelerated by spin state change: Locating the minimum energy crossing point for phosphine exchange in CpMoCl2(PR3)2 complexes. New Journal of Chemistry, 24 (2), 77-80. https://doi.org/10.1039/a909646i