Einstein A Coefficients and Oscillator Strengths for the A 2Π-X2Σ+ (Red) and B 2Σ+-X2Σ+ (Violet) Systems and Rovibrational Transitions in the X2Σ+ State of CN

Authors

James S. A. Brooke
Ram S. Ram
Colin M. Western
Gang Li
David W. Schwenke
Peter F. Bernath, Old Dominion UniversityFollow

Document Type

Article

Publication Date

2-2014

DOI

10.1088/0067-0049/210/2/23

Publication Title

Astrophysical Journal Supplement Series

Volume

210

Issue

2

Pages

23 (1-15)

Abstract

Line strengths have been calculated in the form of Einstein A coefficients and f-values for a large number of bands of the A ²Π-X ²Σ⁺ and B ²Σ⁺-X ²Σ⁺ systems and rovibrational transitions within the X ²Σ⁺ state of CN using Western's PGOPHER program. The J dependence of the transition dipole moment matrix elements (the Herman-Wallis effect) has been taken into account. Rydberg-Klein-Rees potential energy functions for the A ²Π, B ²Σ⁺ , and X ²Σ⁺ states were computed using spectroscopic constants from the A ²Π-X ²Σ⁺ and B ²Σ⁺-X ²Σ⁺ transitions. New electronic transition dipole moment functions for these systems and a dipole moment function for the X ²Σ⁺ state were generated from high level ab initio calculations and have been used in Le Roy's LEVEL program to produce transition dipole moment matrix elements (including their J dependence) for a large number of vibrational bands. The program PGOPHER was used to calculate Einstein A coefficients, and a line list was generated containing the observed and calculated wavenumbers, Einstein A coefficients and f-values for 290 bands of the A ²Π-X ²Σ ⁺ transition with v′ = 0-22, v″ = 0-15, 250 bands of the B ²Σ⁺-X ²Σ⁺ transition with v′ = 0-15, v″ = 0-15 and 120 bands of the rovibrational transitions within the X ²Σ+ state with v = 0-15. The Einstein A coefficients have been used to compute radiative lifetimes of several vibrational levels of the A ²Π and B ²Σ ⁺ states and the values compared with those available from previous experimental and theoretical studies. © 2014. The American Astronomical Society.

Original Publication Citation

Brooke, J. S. A., Ram, R. S., Western, C. M., Li, G., Schwenke, D. W., & Bernath, P. F. (2014). Einstein A coefficients and oscillator strengths for the A ²Π-X²Σ⁺ (Red) and B ²Σ⁺-X²Σ⁺ (Violet) systems and rovibrational transitions in the X²Σ⁺ state of CN. Astrophysical Journal Supplement Series, 210(2), 23 doi:10.1088/0067-0049/210/2/23

ORCID

0000-0002-1255-396X (Bernath)

Repository Citation

Brooke, James S. A.; Ram, Ram S.; Western, Colin M.; Li, Gang; Schwenke, David W.; and Bernath, Peter F., "Einstein A Coefficients and Oscillator Strengths for the A 2Π-X2Σ+ (Red) and B 2Σ+-X2Σ+ (Violet) Systems and Rovibrational Transitions in the X2Σ+ State of CN" (2014). Chemistry & Biochemistry Faculty Publications. 83.
https://digitalcommons.odu.edu/chemistry_fac_pubs/83