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

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.