Iglo calculations of the antisymmetric components of nuclear magnetic shielding tensors
✍ Scribed by Julio C. Facelli; Anita M. Orendt; David M. Grant; Josef Michl
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 232 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Calculations of the antisymmetric components of 13C shielding tensors have been performed in several compounds using the IGLO (individual gauge for localized orbitals) method. The results indicate chemical situations in which the detection of the antisymmetric components should be easier than in the cases analyzed by Iwai and Saika.
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The first experimental detection of an antisymmetrical component (u') in the NMR shielding tensor of a nucleus is reported. The 13C NMR relaxation rates ( I /T, and 1 /T,) of the ethyledic carbons in tetrachlorocyclopropeene in toluene-d, at about -90°C are dominated at high fields by the shielding
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