Microwave spectrum, dipole moment, and centrifugal distortion constants of 1,2,3,5-tetrafluorobenzene
The microwave spectrum of 1,2,3,5-tetrafluorobenzene has been studied at dry ice temperature in the frequency region of 8 to 12.4 GHz. The molecule is highly asymmetric (κ = 0.001129) and exhibits an a-type spectrum. The analysis of the spectrum has been carried out to obtain the following Watson's eight determinable parameters: [Formula: see text], [Formula: see text], [Formula: see text], τ′aaaa = −1.30 ± 1.26 kHz, τ′bbbb = −4.05 ± 0.40 kHz, τ′cccc = −0.75 ± 0.40 kHz, τ1 = −15.21 ± 1.34 kHz and [Formula: see text]. The dipole moment of the molecule is found to be 1.46 ± 0.06 D. The calculated values obtained from INDO and CNDO approximations are 1.73 and 1.64 D, respectively. The benzene ring appears to have undergone a distortion if we assume that C(sp2)—F bond length is around 135 pm.