Electronic and molecular structure of the heterocyclic ring of verdazyl radicals
β Scribed by O. M. Polumbrik; A. M. Nesterenko; L. N. Markovskii
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1980
- Tongue
- English
- Weight
- 376 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0022-4766
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π SIMILAR VOLUMES
The UHF INDO method has been used for the optunlzatlon of three conformatlons of the heterocychc rmg of 2.4,6trlphenylverdazyl (I) and 2,3,5-triphenyltctrazohnyl (II) radvxls. A mechanism has been suggested for the redistribution of spm density withm the hcterocychc rmgs of radicals I and II caused
## Abstract The unrestricted HF method in the INDO approximation with optimized geometry was used to describe the electronic structure of the heteroβring of verdazyl and the derivatives of the latter. The results obtained are in good agreement with the experimental EPR spectra of triphenylverdazyl
Dipiperidinosquaraine (9) crystallizes in the orthorhombic system, space group Pnab, with four molecules in a cell of dimensions a = 7.1798( 9), b = 9.5362(8), and c = 18.788(2) A. The molecule is located over a center of symmetry, so the four-membered ring (C -C = 1.456(1) A av) is exactly planar;