✦ LIBER ✦
13-C-Chemical Shift/Charge Correlations in Unsaturated Systems as Obtained by Semiempirical MO-Methods: A Reinvestigation
✍ Scribed by Harold Baumann; Henrik Olsen
- Book ID
- 102859052
- Publisher
- John Wiley and Sons
- Year
- 1980
- Tongue
- German
- Weight
- 508 KB
- Volume
- 63
- Category
- Article
- ISSN
- 0018-019X
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✦ Synopsis
Abstract
The Spiesecke & Schneider relationship between charge and ^13^C‐chemical shifts has been widely used in recent years. In the present work a set of 20 organic compounds with a total of 50 different chemical shifts has been investigated with respect to the applicability of this relation. Attempted correlation between ^13^C‐shifts and charges indicated that the proportionality constant highly depends on the MO‐method used. In order to circumvent these problems paramagnetic shifts were computed using standard techniques. The effect of including a diamagnetic shift correction is discussed.