Determination of the molecular dipole moment of bromofluoromethane: Microwave Stark spectra and ab initio calculations |
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Authors: | Gabriele Cazzoli Cristina Puzzarini Alessandro Baldan |
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Institution: | a Dipartimento di Chimica “G. Ciamician”, Università di Bologna, Via Selmi, No. 2, I-40126 Bologna, Italy b Dipartimento di Chimica Fisica, Università Ca Foscari di Venezia, D.D. 2137, I-30123 Venezia, Italy |
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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. |
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Keywords: | CH279BrF Rotational spectroscopy Stark effect Dipole moment Ab initio calculations |
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