Add time:09/08/2019         Source:sciencedirect.com

Microwave spectra of iodomethyl methyl ether (CH3OCH2I) and its two deuterated species have been measured. A least-squares analysis for the observed frequencies gave rotational, centrifugal distortion constants and all the components of the nuclear electric quadrupole coupling constant tensor of the molecule. From the rotational constants obtained, a plausible structure of this molecule was estimated to be the gauche form with about 73°30′ for the dihedral angle value. Transformation of the nuclear electric quadrupole coupling tensor χ into its own principal axes system gave χzz = −1672.70 ± 0.46 MHz, ηz = 0.0569 ± 0.0031, and (θza, θzb, θzc) = (28°34′, 62°54′, 98°23′) for the normal species which indicate the χ tensor is slightly distorted from the cylindrical symmetry around the CI bond. In the course of the measurements, a forbidden transition of 918 ← 725 and irregular patterns of the multiplet for the 826 ← 817 and 927 ← 918 transitions were found and understood as the result of accidental near degeneracy of the 918 and 826 levels which are connected by the energy matrix element containing the largest off-diagonal χ element, χab.

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