The energetically most favorable C nuclear arrangements of cation and anion radicals of heptafulvalene, I, pmqtafulvalene. II, and triafulvalene. III, are calctited using the open-shell SCF bf0 method in conjuxtion with the variable bond length technique. The molecular qmmetry groups for anion radic
The ground-state electronic structure of the heptafulvalene trianion radical
โ Scribed by Azumao Toyota; Takeshi Nakajima
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- French
- Weight
- 196 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0040-4039
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โฆ Synopsis
The ground-state geometrical structure of the heptafulvalene trianion radical, calculated by using the semiempirical open-shell SCF MO method, is found to be of Czv symmetry.
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