THEORETICAL INVESTIGATION ON THE NUCLEAR-QUADRUPOLE INTERACTION OF CH3CL, CH2CL2 AND CHCL3

Authors
FRANTZ G DUFNER H SCHMIDT PC
Citation
G. Frantz et al., THEORETICAL INVESTIGATION ON THE NUCLEAR-QUADRUPOLE INTERACTION OF CH3CL, CH2CL2 AND CHCL3, Zeitschrift fur Naturforschung. A, A journal of physical sciences, 49(1-2), 1994, pp. 116-124
Citations number
50
Categorie Soggetti
Chemistry Physical",Physics
Journal title
Zeitschrift fur Naturforschung. A, A journal of physical sciences → ACNP
ISSN journal
09320784
Volume
49
Issue
1-2
Year of publication
1994
Pages
116 - 124
Database
ISI
SICI code
0932-0784(1994)49:1-2<116:TIOTNI>2.0.ZU;2-D
Abstract
The nuclear quadrupole interaction Cl-35 in CH3Cl, Ch2Cl2 and CHCl3 ha s been studied theoretically by the Hartree-Fock-Roothaan procedure. T he influence of the crystal field on the nuclear quadrupole coupling c onstant is incorporated by the cluster approach and by using point cha rges that are consistent with the external potential.