Optimized geometries and energies for 3,4-dihydro-1,2-dithiin Ε½ . Ε½ . Ε½ . Ε½ . 1 , 3,6-dihydro-1,2-dithiin 2 , 4H-1,3-dithiin 3 , and 2,3-dihydro-1,4-dithiin 4 were calculated using ab initio 6-31G U and MP2r6-31G U rr6-31G U methods. At the MP2r6-31G U rr6-31G U level, the half-chair conformer of 4
Stability of Hartree-Fock solutions and structure of 1,3-dihydro-1,3-diazine, 1,3-dioxin, and 1,3-dithiin
β Scribed by M. N. Glukhovtsev; B. A. Simkin; V. I. Minkin; I. A. Yudilevich
- Book ID
- 104941156
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1982
- Tongue
- English
- Weight
- 388 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0022-4766
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π SIMILAR VOLUMES
## Abstract Optimized geometries and total energies for the conformers of 3,6βdihydroβ1,2βdithiin (2) and 3,6βdihydroβ1,2βdioxin (3) were calculated at several __ab initio__ MO levels: RHF/3β21G(\*), RHF/6β31G\*, MP2/6β31G\*, and MP2/6β31G\*/ /RHF/3β21G(\*). For the dioxin, in addition to the above
A mild and convenient method for ring expansion of 1,3-dithiolans and 1,3-dithians to dihydro-1,4-dithiins and dihydro-1,4-dithiepins, respectively, using phenyl selenenyl chloride in methylene chloride is described. A mechanism involving sulphenyl chloride derivatives as intermediates is proposed.