The electric dipole moment of bromofluoromethane, CH2(79)BrF, has been determined with a good accuracy by observing the second order DeltaM_J=0 Stark spectrum of the J$ = 3_2,1 - 3_1,2, $ = 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.
G. Cazzoli, C. Puzzarini, A. Baldacci, A. Baldan (2007). Determination of the molecular dipole moment of bromofluoromethane: microwave Stark spectra and ab initio calculations. JOURNAL OF MOLECULAR SPECTROSCOPY, 241, 112-115 [10.1016/j.jms.2006.11.004].
Determination of the molecular dipole moment of bromofluoromethane: microwave Stark spectra and ab initio calculations
CAZZOLI, GABRIELE;PUZZARINI, CRISTINA;
2007
Abstract
The electric dipole moment of bromofluoromethane, CH2(79)BrF, has been determined with a good accuracy by observing the second order DeltaM_J=0 Stark spectrum of the J$ = 3_2,1 - 3_1,2, $ = 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.