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Solvent effects on 13C and 17O chemical shifts of polar molecules. Comparison between experiment and theory

✍ Scribed by Bernard Tiffon; Bernard Ancian

Publisher: John Wiley and Sons
Year: 1981
Tongue: English
Weight: 250 KB
Volume: 16
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1270160319

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✦ Synopsis

Abstract

Experimental solvent effects on ^13^C and ^17^O chemical shifts of acetone, and ^13^C chemical shifts of acetonitrile are compared with theoretical calculations by Jallali‐Heravi and Webb (solvaton model). Calculated values are, generally, in agreement with experimental results for atoms belonging to polar groups, but not for methyl carbons for which van der Waals interaction effects are predominant.

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