## 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^{ 2}Π-X ^{2}Σ^{+} and B ^{2}Σ^{+}-X ^{2}Σ^{+} systems and rovibrational transitions within the X ^{2}Σ^{+} 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 ^{2}Π, B ^{2}Σ^{+} , and X ^{2}Σ^{+} states were computed using spectroscopic constants from the A ^{2}Π-X ^{2}Σ^{+} and B ^{2}Σ^{+}-X^{ 2}Σ^{+} transitions. New electronic transition dipole moment functions for these systems and a dipole moment function for the X ^{2}Σ^{+} 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 ^{2}Π-X ^{2}Σ^{ +} transition with v′ = 0-22, v″ = 0-15, 250 bands of the B ^{2}Σ^{+}-X ^{2}Σ^{+} transition with v′ = 0-15, v″ = 0-15 and 120 bands of the rovibrational transitions within the X ^{2}Σ+ state with v = 0-15. The *Einstein A* coefficients have been used to compute radiative lifetimes of several vibrational levels of the A ^{2}Π and B ^{2}Σ ^{+} 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 ^{2}Π-X^{2}Σ^{+} (Red) and B ^{2}Σ^{+}-X^{2}Σ^{+} (Violet) systems and rovibrational transitions in the X^{2}Σ^{+} 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