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

The electric dipole moment of bromofluoromethane, (CH2BrF)-Br-79, has been determined with a good accuracy by observing the second order Delta M-J = 0 Stark spectrum of the J = 3(2,1) <- 3(1,2), J = 5(2,3) <- 5(1,4) and J = 5(2,4) <- 5(1,5) rotational transitions. In addition, the equilibrium geometry and dipole moment have been evaluated using highly accurate ab initio calculations. By comparing the experimental [mu(a) = 0.3466(11) D and mu(b) = 1.704(26) D] and theoretical [mu(a) = -0.339 D and mu(b) 1.701 D] dipole moment components, a very good agreement has been found. (c) 2006 Elsevier Inc. All rights reserved.