PERTURBATION ANALYSIS FOR THE $A^{2}\Pi$ AND $X^{2}\Sigma^{+}$ STATES OF CN
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Date
1978
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
Deperturbed vibration-rotation constants of the $A^{2}\Pi$ and $X^{2}\Sigma^{+}_{1}$ states of CN are obtained. Microwave and optical data from several sources are combined using a weighted, nonlinear least squares fitting routine. The diagonalized effective Hamiltonian matrix contains as many as two $^{2}\Pi$ and two $^{2}\Sigma^{+}$ mutually interacting vibronic levels. The deperturbed constants and interaction matrix elements obtained provide a significantly more accurate representation of all perturbed and unperturbed observed lines than the previously reported $values^{2}$ The electronic factors of the spin-orbit and rotation-electronic perturbation matrix elements for the $A\sim X$ and $A\sim B$ interactions are determined and several previously unreported perturbations are detected and analyzed. Merged constants and Dunham coefficients are calculated and a detailed statistical treatment of the parameters and error estimates is included.
Description
$^{1}$ S. P. Davis and J. G. Phillips, Berkeley Analysis of Molecular Spectra: CN A-X System (39 bands, $v'' = 0-8, v' = 0-12,15)$ and R. Bacis, private communication (Fourier Spectroscopy, 14 bands, $v'' - 0-4, v' = 0-4)$. $^{2}$ G. Polletto and M. Rigutti, Nuovo Cimento 39, 519 (1965); T. Fay, I. Marenin, and W. van Citters, J. Quant. Spect. Rad. Transf. 11, 1203 (1971).""
Author Institution: Department of Chemistry, Massachusetts Institute of Technology
Author Institution: Department of Chemistry, Massachusetts Institute of Technology