Density functional theory study of 13C NMR chemical shift of chlorinated compounds
โ Scribed by Songqing Li; Wenfeng Zhou; Haixiang Gao; Zhiqiang Zhou
- Book ID
- 112146851
- Publisher
- John Wiley and Sons
- Year
- 2012
- Tongue
- English
- Weight
- 228 KB
- Volume
- 50
- Category
- Article
- ISSN
- 0749-1581
- DOI
- 10.1002/mrc.2837
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๐ SIMILAR VOLUMES
The 13C NMR spectra of 48 chlorinated biphenyls are presented. The I3C shifts of the individual carbons are interpreted by the additive contributions from the substituent effect of a chlorine atom, and by the repulsive interaction of chlorine atoms substituted in a crowded relationship on the biphen
## Abstract A study has been made of the ^13^C chemical shifts of a number of acyclic alkanes, alkenes, nitriles and ketones which contain quaternary carbon atoms. Similar data have also been obtained for the series of compounds involved in the synthesis of triisopropylacetic acid. Substituent effe