Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5415544 | Journal of Molecular Spectroscopy | 2008 | 18 Pages |
Abstract
The rotational spectrum of the symmetric top trimethyl tin chloride (CH3)3SnCl has been studied using a pulsed molecular beam Fourier transform microwave spectrometer in the frequency range from 3 to 24 GHz. The spectrum is exceedingly complicated by the internal rotation motions of the three equivalent methyl tops, the high number of Sn- and Cl-isotopes and the quadrupole hyperfine structure of the chlorine nucleus. In this paper, we present the microwave spectrum, ab initio calculations, permutation inversion (PI) group-theoretical considerations, Stark-effect measurements and finally the K = 0 assignments and fits of the different torsion-rotation species. Based on the Stark-effect measurements, the dipole moment is μ = 3.4980(30) D. Due to ÎK=±1-mixing effects we observe linear Stark-effect behavior and additional quadrupole splitting for some K=0 torsion-rotation transitions in (CH3)3SnCl, which can be group-theoretically explained. The symmetric rotor fit of A1 and A2 torsion-rotation states leads to an effective B-constant of 1680.040124(92) MHz for the main isotopologue (CH3)3120Sn35Cl. A global fit of 182 K=0 torsion-rotation transitions yields a V3 torsional barrier of 1.774(6) kJ.
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Authors
Melanie Schnell, Jon T. Hougen, Jens-Uwe Grabow,