## 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
13C NMR of acyclic sulphonated compounds including some fluorosulphonic acids: A chemical shift study
✍ Scribed by J. P. Canselier; J. L. Boyer; V. Castro; G. L. Card; J. Mohtasham; D. H. Peyton; F. E. Behr
- Publisher
- John Wiley and Sons
- Year
- 1995
- Tongue
- English
- Weight
- 405 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
A chemical shift analysis of the ^13^C NMR spectra of more than 50 acyclic sulphonic acids, alkali metal sulphonates and methyl esters was carried out. Chemical shift increment systems with n‐alkanes as reference molecules were established for linear alkanesulphonates and alk‐2‐enesulphonates. Some short‐chain fluorinated sulphonic acids were also studied, especially pentafluorothio derivatives. CF spin‐spin coupling constants were determined. Pauling electronegativity values for SO~3~H and SF~5~ groups were derived from α chemical shift increments.
📜 SIMILAR VOLUMES
The inÑuence of hydrogen bonding (HB) on the 13C chemical shift tensors in four solid amino acids was studied by the ab initio gauge-included atomic orbital (GIAO) approach. The results of the present calculations were compared with those predicted previously and with the experimentally observed shi
## Abstract The ^13^C NMR chemical shift values of (aryl)(2‐nitrobenzo[__b__]thiophen‐3‐yl)amines were measured in DMSO‐__d__~6~ solutions, suggesting the occurrence of an alternate charge polarization at C‐3, C‐2, C‐3a, C‐7a, C‐4 and C‐5. A dual substituent parameter analysis of the experimental d