Ab initio molecular orbital study on inversion mechanism of trimethylene bridges of [33](1,3,5)- and [36](1,2,3,4,5,6)cyclophanes
β Scribed by Kenzi Hori; Wakana Sentou; Teruo Shinmyozu
- Book ID
- 108386357
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- French
- Weight
- 221 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0040-4039
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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
We describe the synthesis of a series of 1-aryl-2,3-dialkyl-1,4,5,6-tetrahydropyrimidinium salts 1, by alkylation of the corresponding 1,4,5,6-tetrahydropyrimidines 2. We analyze the changes in the 1 H and 13 C NMR spectra of compounds 2 induced by protonation and quaternization. The results of an a