The assignment of proton hyperfine splitting constants in benzo [cd ] pyrenyl has been discussed with the aid of some variants of McLachlan's method and blcConnell's relationship. The proton hyperfine splitting constants for benzo [cd] pytenyl (fig. i) have been determined by Reddoch and Paskovich [
INDO calculations of the hyperfine splitting constants of freely rotating γ-protons
✍ Scribed by Paul D Sullivan; William L Wright
- Publisher
- Elsevier Science
- Year
- 1974
- Weight
- 254 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0022-2364
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Isotropic and anisotropic hypertlne splitting constants have been calculated for the \*2 states of BeH, MgH, CN, and CP. All wavefunctions were calculated numerically using our partial-wave procedure. Spin polarization has been introduced with selected single excitations from the restricted Hartree-
Employing a CI wavefunction with a DZ + (2d) basis set, the isotropic hyperflne splitting constants for the F and Cl nuclei in the gas-phase radical anions FCl-and Cl, were evaluated. The ionization potentials are calculated as 2.1 O-2.27 eV for FCl-and 2.22-2.28 eV for Cl;, the latter comparing wel