Determination of the relative signs of ESR hyperfine constants from higher-order effects
β Scribed by Richard W Fessenden
- Publisher
- Elsevier Science
- Year
- 1969
- Weight
- 998 KB
- Volume
- 1
- Category
- Article
- ISSN
- 0022-2364
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π SIMILAR VOLUMES
We have studied the solvent effect on the ESR hyperfine splitting constants of some neutral radicals.
## Abstract A novel methodology using the order matrix calculation to determine the absolute sign of spinβspin couplings based on the structure of organic compounds is presented. The sign of the residual dipolar coupling (RDC) depends on the sign of corresponding scalar spinβspin coupling constant
A quantum mechanical protocol for the study of flexible open-shell systems has been applied in a reinvestigation of the isotropic hyperfine coupling constants of the bicyclobutyl radical. Our computations indicate that the most stable structure of the radical corresponds to the exo-form and is chara
## Abstract The hyperfine coupling constant (__A__ in units of energy or __A__β² in units of magnetic field) and zeroβfield splitting (__D__ in units of energy or __D__β² in units of magnetic field) in the ESR spectrum of Mn^2+^ in calcite were determined. The spreading of the nonβcentral allowed tra