Geometries of secondary and tertiary benzylic cations, which have bulky substituents at a positions, were optimized by ab initw MO calculations at the RHF/6-31G\* and, in part, MP2/6-31G\* levels. Calculated #cu,r, which is the dihedral angle of the a-C -C bond with respect to the aromatic plane, is
Electron spin resonance and ab initio studies on the cation—semidione interaction
✍ Scribed by P. Calle; J. Martín; J.M. García de la Vega; C. Sieiro
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 534 KB
- Volume
- 269
- Category
- Article
- ISSN
- 0022-2860
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