✦ LIBER ✦

Singlet-triplet separation in borylene. comparison with the methylidyne cation, methylene and the amino cation

✍ Scribed by John A. Pople; Paul von Ragué Schleyer

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 241 KB
Volume: 129
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)80211-1

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✦ Synopsis

Borylene (BH), which is known to have a 'Z' ground state, is predicted to have a low-lying 'II triplet state with an energy separation of 31.9 kcal/mol. The ab initio molecular-orbital method used is shown to give results which are consistent with theoretical and experimental data on CH', CH? and NH:.