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2,3-Dihydro-5-methyl-1,4-dithiin 1,1,4,4-tetroxide

โœ Scribed by Bates, R. B. ;Kriek, G. R. ;Brewer, A. D.

Book ID
114526802
Publisher
International Union of Crystallography
Year
1980
Weight
277 KB
Volume
36
Category
Article
ISSN
0567-7408

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Ab initio molecular orbital study of energies and conformers of 3,4-dihydro-1,2-dithiin, 3,6-dihydro-1,2-dithiin, 4H-1,3-dithiin, and 2,3-dihydro-1,4-dithiin
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Optimized geometries and energies for 3,4-dihydro-1,2-dithiin ลฝ . ลฝ . ลฝ . ลฝ . 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