METAL-BASED CHIRALITY AND SPIN-STATE CHANGE IN 16-ELECTRON CPML2 SYSTEMS - A COMPUTATIONAL STUDY OF CPW(NO)(PH3)

Authors
SMITH KM POLI R LEGZDINS P
Citation
Km. Smith et al., METAL-BASED CHIRALITY AND SPIN-STATE CHANGE IN 16-ELECTRON CPML2 SYSTEMS - A COMPUTATIONAL STUDY OF CPW(NO)(PH3), Chemical communications, (17), 1998, pp. 1903-1904
Citations number
35
Categorie Soggetti
Chemistry
Journal title
Chemical communications → ACNP
ISSN journal
13597345
Issue
17
Year of publication
1998
Pages
1903 - 1904
Database
ISI
SICI code
1359-7345(1998):17<1903:MCASCI>2.0.ZU;2-Y
Abstract
Density functional theory calculations indicate that CpW(NO)(PH3) poss esses a planar triplet ground state, a result with significant implica tions for the inversion of configuration of 16e, d(6) CpML2 species.