Issue 17, 1998

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

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.

Article information

Article type
Paper

Chem. Commun., 1998, 1903-1904

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

K. M. Smith, R. Poli, K. M. Smith and P. Legzdins, Chem. Commun., 1998, 1903 DOI: 10.1039/A805176C

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