QUADRUPOLE COUPLING IN THE MICROWAVE SPECTRA OF $CF_{2}NCl$ AND ITS ISOTOPIC SPECIES

Loading...
Thumbnail Image

Date

1995

Journal Title

Journal ISSN

Volume Title

Publisher

Ohio State University

Research Projects

Organizational Units

Journal Issue

Abstract

The analysis of the microwave spectra of 12CF215NCl resulted in a quadrupole coupling tensor with χab=64.54(15)MHz and χx=−104.18(13)MHz for 35Cl. The results from the analysis for 13CF214NCl were 62.79(105) and -102.78(84) MHz, respectively. In the original work on 12CF214NCl1,χab could not be increased to above 52 MHz and χx not decreased to below -94.7 MHz despite all efforts. The reason for the discrepancy was found in the way that the quadrupole splittings were calculated. The original calculation1 did not take into account the matrix elements off-diagonal in F1, the approximate quantum number from the coupling of J and ICl. The analysis of the spectra of the isotopic species was made with the program modified to include all matrix elements of the exacl Hamiltonian for the exact quantum number F < 35/2 (from the coupling of F1 and IN). The results of the reanalysis of the 12CF214NCl will also be given and the important consequences for the molecular structure will be discussed.

Description

1 P. Groner. H. Nanaie and J.R. Durig, J. Mol. Struct (1987) 160, 37.


Author Institution: University of Missouri , Kansas City, 5100 Rockhill Rd., Kansas City, MO 64110.

Keywords

Citation