Conformational polymorphism in thiophenyl substituted quinones and the disappearing NMR spectrum
β Scribed by Ram P. Kashyap; Duoli Sun; William H. Watson
- Book ID
- 105311371
- Publisher
- Springer
- Year
- 1995
- Tongue
- English
- Weight
- 708 KB
- Volume
- 25
- Category
- Article
- ISSN
- 1572-8854
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π SIMILAR VOLUMES
Ab initio IGLO (individual gauge for localized molecular orbital) methods of SCF-MO theory were used to extend studies of the conformational dependences of isotropic 13C NMR chemical shifts to n-hexane and three 1-substituted pentanes (X \ CN, OH, F). Isotropic shifts were obtained as a func-XCH 2 C
## Abstract The 100 MHz spectrum of 1,3βoxathianeβ3βoxide is reported. Parameters obtained from first order analyses are interpreted in terms of an absence of a conformational preference of the Sο£ΎO bond at 38Β°C, but an axial preference at low temperatures. The behaviour contrasts with that found pr