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Ab initio and semi-empirical molecular orbital calculations on 1,6-methano[10]annulene

✍ Scribed by Gary L. Grunewald; Ibrahim M. Uwaydah; Ralph E. Christoffersen; Dale Spangler

Publisher: Elsevier Science
Year: 1975
Tongue: French
Weight: 235 KB
Volume: 16
Category: Article
ISSN: 0040-4039
DOI: 10.1016/s0040-4039(00)72023-5

No coin nor oath required. For personal study only.

✦ Synopsis

Since its synthesis by Vogel et al., 4 1,6loethano[lO]annulene has been subjected to extensive Investigation to explore Its reactivity and aronaticity. We report here the results of a.b initti, CNDO/Z, and INDO molecular orbital (MO) calculations on this molecule.

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