Metal-based chirality and spin state change in 16-electron CpML2 systems: a computational study of CpW(NO)(PH3)
| Autor: | M. Smith, Kevin, Poli, Rinaldo, M. Smith, Kevin, Legzdins, Peter |
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| Zdroj: | Chemical Communications; September 7, 1998, Vol. 1998 Issue: 17 p1903-1904, 2p |
| Abstrakt: | 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. |
| Databáze: | Supplemental Index |
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