CALIBRATION OF ANGULAR FUNCTIONS OF THE BETA-FLUORINE ISOTROPIC HYPERFINE INTERACTION BASED ON THE AB-INITIO LCAO-MO UHF SCF CALCULATIONS OF BETA-FLUORINATED ETHYL RADICALS

Authors
POLENOV EA BOZHENKO KV BUGAENKO VL
Citation
Ea. Polenov et al., CALIBRATION OF ANGULAR FUNCTIONS OF THE BETA-FLUORINE ISOTROPIC HYPERFINE INTERACTION BASED ON THE AB-INITIO LCAO-MO UHF SCF CALCULATIONS OF BETA-FLUORINATED ETHYL RADICALS, Journal of structural chemistry, 34(4), 1993, pp. 505-508
Citations number
9
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
34
Issue
4
Year of publication
1993
Pages
505 - 508
Database
ISI
SICI code
0022-4766(1993)34:4<505:COAFOT>2.0.ZU;2-O
Abstract
Ab initio LCAO-MO UHF SCF calculations have been carried out for the b eta-fluorinated ethyl radicals R-CH2, where R = CH3-nFn (n = 0, 1, 2, 3). Parameters of the beta-fluorine angular functions of the isotropic hyperfine interaction have been calculated for the pi-radical and rad ical anion fragments [GRAPHICS].