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The formation of cyclobutadiene radical cations by the cycloaddition of an alkyne and alkyne radical cation

✍ Scribed by Courtneidge, John L.; Davies, Alwyn G.; Tollerfield, Susan M.; Rideout, Jan; Symons, Martyn C. R.

Book ID
121218693
Publisher
The Royal Society of Chemistry
Year
1985
Tongue
English
Weight
166 KB
Volume
16
Category
Article
ISSN
0022-4936

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πŸ“œ SIMILAR VOLUMES

Cyclobutadiene radical cation. An ab ini
Cyclobutadiene radical cation. An ab initio study of the Jahn-Teller surface
✍ Martina RoeselovΓ‘; Thomas Bally; Pavel Jungwirth; Petr ČÑrsky πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 706 KB

The Jahn-Teller potential energy surface of the cyclobutadiene radical cation is reinvestigated at the CCSD(T)/TZP//RMP2/6-311G(2d, p) level. It is found that out-of-plane deformations come into play as one moves away from the Dab geometry. The relaxed radical cation has two potential energy minima,