A theoretical study of the 2H and 17O nuclear quadrupole coupling constants of the oxonium ion
β Scribed by M Dixon; R.E Overill; T.A Claxton
- Publisher
- Elsevier Science
- Year
- 1974
- Weight
- 394 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0022-2364
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π SIMILAR VOLUMES
## Abstract MO calculations based on the finite perturbation theory in the INDO approximation have been carried out on selenophene, eighteen of its monosubstituted derivatives and benzo (b)selenophene. The calculated nuclear spin coupling constants satisfactorily reproduce signs, magnitudes, intern
Partially resolved hyperfine structure arising from H,Br nuclear-spin-nuclear-spin coupling has been identified in each Brnuclear quadrupole component of the l,,, +O,,,, transition of H,O...HBr. Lineshape simulation leads to a value of D,,= -23 (2) kHz for the spin-spin coupling constant for both H,