Microwave and NMR studies of the structure and the conformational isomerization of 3,6-dihydro-1,2-dioxin
β Scribed by Toshihiko Kondo; Masakatsu Matsumoto; Mitsutoshi Tanimoto
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- French
- Weight
- 281 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0040-4039
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β¦ Synopsis
Structures of fundamental organic peroxides such as 1,2,4-trioxolanes , peracetic acid2, and dioxirane3 have been well established by microwave spectroscopy. 3,6-Dihydro-1,2-dioxins (1,4-endoperoxides) are also fascinating peroxides which are easily obtained by the reaction of 1,3-dienes with singlet oxygen' and are utilized as versatile intermediates in organic syntheses.
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
## Abstract A variableβtemperature ^1^HβNMR study and Xβray structural analysis show that the most stable conformational isomer of [3.3](2,6)pyridinophane 2 is the __syn__(boatβboat) conformer, and the relative stability order of the three stable conformers is __syn__(boatβboat) > __syn__(chairβboa