Determination of the molecular dipole moment of bromofluoromethane: Microwave Stark spectra and ab initio calculations

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Abstract

The electric dipole moment of bromofluoromethane, CH279BrF, has been determined with a good accuracy by observing the second order ΔMJ = 0 Stark spectrum of the J = 32,1 ← 31,2, J = 52,3 ← 51,4 and J = 52,4 ← 51,5 rotational transitions. In addition, the equilibrium geometry and dipole moment have been evaluated using highly accurate ab initio calculations. By comparing the experimental [μa = 0.3466(11) D and μb = 1.704(26) D] and theoretical [μa = -0.339 D and μb = -1.701 D] dipole moment components, a very good agreement has been found. © 2006 Elsevier Inc. All rights reserved.

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Cazzoli, G., Puzzarini, C., Baldacci, A., & Baldan, A. (2007). Determination of the molecular dipole moment of bromofluoromethane: Microwave Stark spectra and ab initio calculations. Journal of Molecular Spectroscopy, 241(1), 112–115. https://doi.org/10.1016/j.jms.2006.11.004

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