POTENTIAL CONSTANTS AND CORIOLIS COUPLING-CONSTANTS OF PERHALOGENATEDETHYLENES .3. TRANS-CLFC=CFCL, TRANS-CLBRC=CBRCL AND TRANS-FBRC=CBRF

Authors
CASTRO JB ANACONA JR DESANCHEZ AR NORIEGA O
Citation
Jb. Castro et al., POTENTIAL CONSTANTS AND CORIOLIS COUPLING-CONSTANTS OF PERHALOGENATEDETHYLENES .3. TRANS-CLFC=CFCL, TRANS-CLBRC=CBRCL AND TRANS-FBRC=CBRF, Journal of molecular structure. Theochem, 330, 1995, pp. 255-259
Citations number
17
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
330
Year of publication
1995
Pages
255 - 259
Database
ISI
SICI code
0166-1280(1995)330:<255:PCACCO>2.0.ZU;2-Q
Abstract
Based on vibrational frequencies a calculation of a general quadratic force field has been carried out for trans-CIFC=CFCl, trans-ClBrC=CBrC l and trans-FBrC=CBrF via an iterative method. The resulting transform ation L matrices were used to evaluate the Coriolis coupling constants and these were used to calculate inertial defects. The calculated val ues of the inertial defects are lower than those of the respective cis -ethylene-type molecules.