Isomerization barriers and stabilities of C 3 H 6+ • isomers
✍ Scribed by McLafferty, Fred W.; Barbalas, Michael P.; Turecek, Frantisek
- Book ID
- 127146236
- Publisher
- American Chemical Society
- Year
- 1983
- Tongue
- English
- Weight
- 325 KB
- Volume
- 105
- Category
- Article
- ISSN
- 0002-7863
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📜 SIMILAR VOLUMES
The ground-state potential energy surface of C6H63-+ was explored by ab initio molecular orbital calculations using the split valence 3-21G basis set. Various isomers were located as minima, the most stable corresponding to the fulvene tricat-.... 0 -1 3+ • • ion (1). The heat of formation of 1 Is e
The various isomers including stable structures, carbenes, and diradicals on the C,H, surface have been investigated. The two carbenes propenylidene and cyclopropylidene have been found to have singlet ground states. Vinylmethylene is predicted to have a triplet ground state with a planar diradical