The structures and stability of the Si3H62+ dications. A theoretical study
โ Scribed by Takako Kudo; Shigeru Nagase
- Book ID
- 107942598
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 514 KB
- Volume
- 153
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The structures and energies for 16 different [ C,H, 1 + isomers were geometry optimized from ab initio molecular orbital calculations. The global minimum on the [ C,H,] + surface at the MP3/6-31G\* level was found to be the ethynyl cyclopropenylium cation (a), with a penta-1,Miynylium structure (b)
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