Ishtar: An interactive system for quantitative investigation on dipolar and quadrupolar spin-lattice relaxation
✍ Scribed by A. Allouche; G. Pouzard
- Publisher
- John Wiley and Sons
- Year
- 1985
- Tongue
- English
- Weight
- 299 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
Within the model of anisotropic rotational diffusion, the quantitative treatment of dipolar and quadrupolar spin-lattice relaxation provides valuable information about molecular structures and molecular associations. When quadrupolar relaxation is involved, the title program calculates: (1) the electric field gradient tensor (EFGT) which is diagonalized; (2) the assymetry parameter, the components of the principal axes of the EFGT in the molecular frame of reference and the quadrupole coupling constant; and
(3) the rotational diffusion constants which are iteratively determined from the experimental quadrupolar relaxation times. Analogously, for dipolar relaxation ISHTAR calculates the tensor of inertia, the diagonalization of which leads to diffusion constants and free rotor correlation times and the rotational diffusion constants from the experimental spectral densities.