The Anomalous Deuterium Isotope Effect in the NMR Spectrum of Methane: An Analysis in Localized Molecular Orbitals
✍ Scribed by Stephan P. A. Sauer; Patricio F. Provasi
- Publisher
- John Wiley and Sons
- Year
- 2008
- Tongue
- English
- Weight
- 173 KB
- Volume
- 9
- Category
- Article
- ISSN
- 1439-4235
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✦ Synopsis
Isotope effects on NMR indirect nuclear spin-spin coupling constants (SSCC) are less frequently studied than the corresponding effects on chemical shifts. Nevertheless, unusual effects have been observed for them and still lack a satisfying explanation. Raynes and co-workers measured the temperature dependence of the SSCC of the isotopomers of methane and found it puzzling that the reduced one-bond carbon-deuterium SSCC is larger than the carbon-proton coupling constant for all mixed isotopomers. This implies that the secondary isotope effect [Eq. ( )] on the carbon-hydrogen SSCC [a] Prof.