EINSTEIN A COEFFICIENTS AND OSCILLATOR STRENGTHS FOR THE A2Π-X2Σ+ (RED) AND B2Σ+-X2Σ+ (VIOLET) SYSTEMS AND ROVIBRATIONAL TRANSITIONS IN THE X2Σ+ STATE OF CN

被引:132
作者
Brooke, James S. A. [1 ]
Ram, Ram S. [1 ]
Western, Colin M. [2 ]
Li, Gang [3 ]
Schwenke, David W. [4 ]
Bernath, Peter F. [1 ,5 ]
机构
[1] Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England
[2] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England
[3] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA
[4] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA
[5] Old Dominion Univ, Dept Chem & Biochem, Norfolk, VA 23529 USA
关键词
astronomical databases: miscellaneous; methods: laboratory: molecular; molecular data; opacity stars: abundances; techniques: spectroscopic; TRANSFORM EMISSION-SPECTROSCOPY; TAIL BAND SYSTEM; CONFIGURATION-INTERACTION CALCULATIONS; DIPOLE-MOMENT FUNCTION; RADIATIVE LIFETIMES; INTERSTELLAR CN; ROTATIONAL PERTURBATIONS; PROJECTION OPERATORS; MOLECULAR-PROPERTIES; INFRARED-SPECTRUM;
D O I
10.1088/0067-0049/210/2/23
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
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)Pi-X-2 Sigma(+) and B-2 Sigma(+)-X-2 Sigma(+) systems and rovibrational transitions within the X-2 Sigma(+) 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)Pi, B-2 Sigma(+), and X-2 Sigma(+) states were computed using spectroscopic constants from the A(2)Pi-X-2 Sigma(+) and B-2 Sigma(+)-X-2 Sigma(+) transitions. New electronic transition dipole moment functions for these systems and a dipole moment function for the X-2 Sigma(+) 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)Pi-X-2 Sigma(+) transition with v' = 0-22, v '' = 0-15, 250 bands of the B-2 Sigma(+)-X-2 Sigma(+) transition with v' = 0-15, v '' = 0-15 and 120 bands of the rovibrational transitions within the X-2 Sigma(+) state with v = 0-15. The Einstein A coefficients have been used to compute radiative lifetimes of several vibrational levels of the A(2)Pi and B-2 Sigma(+) states and the values compared with those available from previous experimental and theoretical studies.
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页数:15
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