Determination of the axial component Fzz of the electric field-electric field gradient response tensor of hydrogen bromide
β Scribed by A.C. Legon; D.J. Millen
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 415 KB
- Volume
- 144
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
We have interpreted the 79Br-nuclear quadrupole coupling constants x..( Br) for a series of hydrogen-bonded dimers B...H79Br and B...D'9Br in terms of a simple electrostatic model to determine the value .FzF,,= -2.67 (19) x 10" m-' for the axial component ofthe electric field-electric field gradient response tensor of hydrogen bromide.
π SIMILAR VOLUMES
The electric field gradient tensor at the hydrogen nucleus in water has been calcuhted in an SCF calculation with local nesr-Hartree-Fock qutity using asymmetric b&s sets. The results are in excellent agreement with results obtained by Davidson and Feller with a basis set of uniform near-Hartree-Foc
The orientation-of the electric field gradient tensor at the iron nucleus in a single crystal of Naa[Fe(CNjsfNOjI~ZHzO has been determined using a polarized hi&sbauer s&cc of "Co in iron metal.