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
The E.S.R. Spectrum of the tetra(1-adamantyl)cyclobutadiene radical cation
β Scribed by Wang Chan; John L. Courtneidge; Alwyn G. Davies; Jeffrey C. Evans; Anthony G. Neville; Christopher C. Rowlands
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- French
- Weight
- 239 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0040-4039
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β¦ Synopsis
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.
π SIMILAR VOLUMES
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,
The e.s.r. spectra are reported of the 1,8-dihydroxy-9-anthron-lo-y1 radical, and of two of its deuterium isotopomers, and of its spin adduct with 2,4,6-tri-t-butylnitrosobenzene.