Published January 2012 | Version v1
Journal article

Einstein A coefficients and absolute line intensities for the E2Π-X2Σ+ transition of CaH

  • 1. Department of Chemistry, University of York, Heslington, York YO10 5DD (United Kingdom)
  • 2. Department of Chemistry, University of Arizona, Tucson, AZ 85721 (United States)
  • 3. School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom)

Description

Einstein A coefficients and absolute line intensities have been calculated for the E2Π-X2Σ+ transition of CaH. Using wavefunctions derived from the Rydberg-Klein-Rees (RKR) method and electronic transition dipole moment functions obtained from high-level ab initio calculations, rotationless transition dipole moment matrix elements have been calculated for all 10 bands involving v′=0,1 of the E2Π state and v″=0,1,2,3,4 of the X2Σ state. The rotational line strength factors (Hönl-London factors) are derived for the intermediate coupling case between Hund's case (a) and (b) for the E2Π-X2Σ+ transition. The computed transition dipole moments and the spectroscopic constants from a recent study [Ram et al., Journal of Molecular Spectroscopy 2011;266:86-91] have been combined to generate line lists containing Einstein A coefficients and absolute line intensities for 10 bands of the E2Π-X2Σ+ transition of CaH for J-values up to 50.5. The absolute line intensities have been used to determine a rotational temperature of 778±3 °C for the CaH sample in the recent study.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.jqsrt.2011.09.010

Additional details

Identifiers

DOI
10.1016/j.jqsrt.2011.09.010;
PII
S0022-4073(11)00332-3;

Publishing Information

Journal Title
Journal of Quantitative Spectroscopy and Radiative Transfer
Journal Volume
113
Journal Issue
1
Journal Page Range
p. 67-74
ISSN
0022-4073
CODEN
JQSRAE

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
44008609
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
CALCIUM; CALCIUM HYDRIDES; DIPOLE MOMENTS; INTERMEDIATE COUPLING; MOLECULES; RYDBERG-KLEIN-REES METHOD; SIMULATION; SPECTROSCOPY; WAVE FUNCTIONS
Descriptors DEC
ALKALINE EARTH METAL COMPOUNDS; ALKALINE EARTH METALS; CALCIUM COMPOUNDS; CALCULATION METHODS; COUPLING; ELEMENTS; FUNCTIONS; HYDRIDES; HYDROGEN COMPOUNDS; METALS

Optional Information

Copyright
Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.