## Abstract The ^13^C chemical shifts for 1,3‐dithiane and 9 methyl substituted derivatives are reported. Only three of the methyl‐1,3‐dithianes were conformationally anancomeric and hence the conformational equilibria must be taken into account when deriving the values of the different substituent
Conformational analysis XX—13C NMR studies of saturated heterocycles 5—substituent effects on the 13C chemical shifts of methyl substituted 1,3-dithiolanes
✍ Scribed by Kalevi Pihlaja; Mauri Eskonmaa; Raimo Keskinen; Alpo Nikkilä; Timo Nurmi
- Publisher
- John Wiley and Sons
- Year
- 1981
- Tongue
- English
- Weight
- 309 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
The ^13^C NMR chemical shifts for 1,3‐dithiolane and 13 methyl substituted derivatives are reported. Substituent effects are derived and compared with those for cyclopentanes and 1,3‐dioxolanes. The magnitude and variety of the substituent effects are best explained with the aid of a half‐chair conformation where the S‐1C‐2S‐3 plane passes between C‐4 and C‐5.
📜 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 ^13^C NMR chemical shifts for 4‐oxo‐1,3‐dioxolane (1) and its all methyl‐substituted derivatives (2–10) as well as for 5‐oxo‐1,3‐oxathiolane (11) and its nine alkyl‐substituted derivatives (12–20) are reported. The magnitude and variety of the substituent effects are in accordance w
## Abstract The synthesis and assignment of ^15^N and ^13^C NMR signals of the 1,3,4‐oxathiazol‐2‐one ring in a series of __para__‐substituted 5‐phenyl derivatives are reported. DFT calculations of ^15^N and ^13^C chemical shifts correspond closely to observed values. Substituent effects are interp
## Abstract The influence of substituents on ^1^H and ^13^C NMR chemical shifts of 2‐substituted 1,3‐dimethylbenzimidazolium perchlorates in different solvents has been investigated. It has been shown that the transmission of the electronic effects of the substituents in benzimidazoles and their qu