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The potential surface for the cyclobutadiene radical cation

✍ Scribed by Borden, Weston Thatcher; Davidson, Ernest R.; Feller, David

Book ID
126867972
Publisher
American Chemical Society
Year
1981
Tongue
English
Weight
724 KB
Volume
103
Category
Article
ISSN
0002-7863

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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
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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,

Towards persistent cyclobutadiene radica
Towards persistent cyclobutadiene radical cations? The tetra-1-adamantyl-, and tetraneopentylcyclobutadiene radical cations.
✍ Q.B. Broxterman; H. Hogeveen; R.F. Kingma πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 French βš– 217 KB

The persistence of alkyl substituted cyclobutadiene radical cations strongly depends on the method of generation and the size of the alkyl substituents used. Hindered rotation, the consequence of bulky substituents, is observed in the title compounds. Cyclobutadiene radical cations are transient spe

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A revised interpretation is proposed for the 'H and l3 C hyperfine coupling in e.s.r. spectrum of the tetra-l-adamantylcyclobutadiene radical cation, and assumes that rotation occurs about the 1-adamantyl bond.