## 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 JallaliโHeravi and Webb (solvaton model). Calculated values are, generally, in agreement with experimental results for atom
A new method for differentiating between solvent effect mechanisms on 13C chemical shifts
โ Scribed by Makiko Sugiura; Narao Takao; Shinichi Ueji
- Publisher
- John Wiley and Sons
- Year
- 1982
- Tongue
- English
- Weight
- 482 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0749-1581
No coin nor oath required. For personal study only.
โฆ Synopsis
Abstract
A new method of differentiating between the different mechanisms operative for ^13^C solvent effects is proposed. This approach, in which the ^13^C solvent shifts of Cโ1 of tertโbutylcyclohexane are selected for the reference solvent shifts, allows the study of ^13^C solvent shifts measured from an internal TMS reference. Using this method, the solute factor related to the van der Waals contribution can be estimated, and specific solvent effects other than the van der Waals effect can also be detected.
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