POTENTIAL CONSTANTS AND CORIOLIS COUPLING-CONSTANTS OF PERHALOGENATEDETHYLENES .1. 1,1-CL2C=CF2, 1,1-CL2C=CBR2 AND 1,1-F2C=CBR2

Authors
DESANCHEZ AR ANACONA JR NORIEGA O CASTRO JB
Citation
Ar. Desanchez et al., POTENTIAL CONSTANTS AND CORIOLIS COUPLING-CONSTANTS OF PERHALOGENATEDETHYLENES .1. 1,1-CL2C=CF2, 1,1-CL2C=CBR2 AND 1,1-F2C=CBR2, Journal of molecular structure. Theochem, 330, 1995, pp. 243-248
Citations number
18
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
330
Year of publication
1995
Pages
243 - 248
Database
ISI
SICI code
0166-1280(1995)330:<243:PCACCO>2.0.ZU;2-V
Abstract
Coriolis coupling constants have been calculated from force field comp utations and used to evaluate the inertial defect of 1,1-dichlorodiflu oroethylene, 1,1-dichlorodibromoethylene and 1,1-difluorodibromoethyle ne. The inertial defect values for the ground vibrational state of 1,1 -Cl2C=CF2=0.2450, 1,1-Cl2C=CBr2=0.3740 and 1,1-F2C=CBr2=0.4190 amu Ang strom(2) show corrrespondence with the observed values of similar ethy lene-type molecules.