Deutenum quadrupole coupling le~wrs have been calcdakI from diffraction determined charge distnbutions in nysalline LiOH-H,O. LiNOJ-3H,O and NaHq04-H,O. 'The sign. orientation, asymmetry and magnitude of These coupling LCINXS show good agreement with speclroscopic red&
Electric field gradients from generalized X-ray scattering factors
β Scribed by Robert F. Stewart
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 326 KB
- Volume
- 49
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
The electronic contributions to the clcctric field gradient for Nz are studied with the USC ofgenerali7ed X-r&y scattcring factors. Vibrational effects are neglected. It is shown for this example that the rclcvant charge density features are well within the resolution of the X-ray diffraction eupcrimcnt. It is hoped that the discussion in this now will stimulate fruitful collaboration between X-ray diffractionists and NQR spectroscopists.
π SIMILAR VOLUMES
Generalized X-ray scattering factors have been extracted from an accurate one-electron density function of molecular hydrogen. With the approximation that the atomic densities perfectIy follow the nuclei. vibrational fore constants are given in terms of sum rules for the generalized X-ray scattering