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Spectral properties and ring conformation of some novel 2,3-dihydro-1H-1,4-diazepinium cations

✍ Scribed by G. W. H. Potter; M. W. Coleman; A. M. Monro


Book ID
112123483
Publisher
Journal of Heterocyclic Chemistry
Year
1975
Tongue
English
Weight
205 KB
Volume
12
Category
Article
ISSN
0022-152X

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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