Ab initio calculations on octahedral (CH) x (NH)6−x |
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| Authors: | Dr. Kees van der Meer Jan J. C. Mulder |
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| Affiliation: | (1) Theor. Org. Chem. Gorlaeus Laboratoria, Rijksuniversiteit to Leiden, Postbus 75, Leiden, Netherlands |
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| Abstract: | Octahedral 38-, 44- and 48-electron systems are closed-shells and could be stable. The latter two systems have a high energy and dissociate via a non-symmetric path. (NH)6 in a chair conformation should be stable. |
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| Keywords: | Octahedral (CH)x(NH)6– x Chair N6H6 |
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