"Metal-based chirality and spin state change in 16-electron CpML<sub>2<" by Kevin M. Smith, Rinaldo Poli et al.

Faculty Publications

Title

Metal-based chirality and spin state change in 16-electron CpML₂ systems: A computational study of CpW(NO)(PH₃)

Authors

Kevin M. Smith, Universite de Bourgogne
Rinaldo Poli, Universite de Bourgogne
Peter Legzdins, The University of British Columbia

Document Type

Article

Publication Date

9-7-1998

Abstract

Density functional theory calculations indicate that CpW(NO)(PH3) possesses a planar triplet ground state, a result with significant implications for the inversion of configuration of 16e, d6 CpML2 species.

Publication Source (Journal or Book title)

Chemical Communications

First Page

1903

Last Page

1904

Recommended Citation

Smith, K., Poli, R., & Legzdins, P. (1998). Metal-based chirality and spin state change in 16-electron CpML₂ systems: A computational study of CpW(NO)(PH₃). Chemical Communications (17), 1903-1904. https://doi.org/10.1039/a805176c

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