Published May 2014 | Version v1
Journal article

Einstein A-values and oscillator strengths of the A2Π–X2Σ+ system of CP

  • 1. Department of Chemistry, University of York, Heslington, York YO10 5DD (United Kingdom)
  • 2. School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom)
  • 3. Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, VA 23529 (United States)

Description

Line strengths for bands of the A2Π–X2Σ+ transition of CP, including the effect of rotation on the vibrational wavefunctions (the Herman–Wallis effect), have been calculated using Western's PGOPHER program and Le Roy's LEVEL program. The potential energy functions for the A2Π and X2Σ+ state were computed using spectroscopic constants obtained from high resolution spectra. The RKR potentials of the two states, and the electronic transition dipole moments of this transition calculated in a recent ab initio study have been used in Le Roy's LEVEL program to produce transition dipole moment matrix elements. The matrix elements have been converted from Hund's case (b) to (a), and then used in PGOPHER to generate a line list containing observed and calculated wavenumbers, Einstein A coefficients and f-values for 75 bands with v=0–8 for both states. The Einstein A coefficients have been used to compute radiative lifetimes for v=0–5 in the A2Π state. The line list may be useful for computing the molecular opacities of CP needed to simulate the spectra of stellar and substellar sources. - Highlights: • Line list generated for 75 bands of the A–X transition of CP. • Rotational line intensities calculated in the form of Einstein A and f-values. • Vibrational band strengths calculated as Einstein Av'v″ and fv'v″ values

Availability note (English)

Available from http://dx.doi.org/10.1016/j.jqsrt.2014.01.030

Additional details

Identifiers

DOI
10.1016/j.jqsrt.2014.01.030;
PII
S0022-4073(14)00050-8;

Publishing Information

Journal Title
Journal of Quantitative Spectroscopy and Radiative Transfer
Journal Volume
138
Journal Page Range
p. 107-115
ISSN
0022-4073
CODEN
JQSRAE

Optional Information

Copyright
Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.