✦ LIBER ✦
Calculations of hydrogen—fluorine and fluorine—fluorine nuclear magnetic spinspin coupling anisotropies for fluorinated ethenes and benzenes oriented in liqiud crystal solvents
✍ Scribed by C.W Haigh; S Sykes
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 291 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Spin-spin couphng tensors are calculated using self-consistent perturbation theory and INDO wavefunctions, in order to estimate whether neglect of their anisotropy influences molecular dimensions deduced from the NMR spectra of partially oriented solutes. It is found that anisotropy of cis and r~arrs and many aromatic HF couplinps can be neglected but that frans FF couplings arc markedly anisotropic. Comparisons arc made R'ith the limited experimental results.
NMR spectra of solutes partially oriented in nernatic or lyotropic liquid crystals are of considerable cur-