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

Authors
Smith, KM Poli, R Harvey, JN
Citation
Km. Smith et al., Ligand dissociation accelerated by spin state change: locating the minimumenergy crossing point for phosphine exchange in CpMoCl2(PR3)(2) complexes, NEW J CHEM, 24(2), 2000, pp. 77-80
Citations number
44
Categorie Soggetti
Chemistry
Journal title
NEW JOURNAL OF CHEMISTRY
ISSN journal
11440546 → ACNP
Volume
24
Issue
2
Year of publication
2000
Pages
77 - 80
Database
ISI
SICI code
1144-0546(200002)24:2<77:LDABSS>2.0.ZU;2-V
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) l ower in energy than the doublet dissociative intermediate CpMoCl2(PH3). Imp lications for the influence of spin state changes on the rates of organomet allic reactions are discussed.