Affiliation:
1. Abteilung für Physikalische Chemie der Universität Ulm
Abstract
The MW-spectra of trans- and gauche-rotamers of 5 isotopes of ethylchlorosilane have been measured and partially analyzed. From the analysis rotational constants, centrifugal distortion constants and nuclear quadrupol coupling constants have been obtained. The determination of the restructure from 30 rotational constants leads to different bond angles C -C -Si for the two conformers. The optimalization of the quadrupol coupling constants in the bond axis system on the basis of the r0-structure using all information on the 35Cl-species yields the following values: ZZZ = (-35.5±0.8) MHz, η = - 0.25±0.11 for the trans-form and ZZZ= (-36.3±2.7) MHz, η = -0.08±0.10 for the gauche-form.
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics
Cited by
14 articles.
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1. Spectra and structure of silicon-containing compounds—XVI. Infrared and Raman spectra, conformational stability, ab initio calculations, r0 structure and vibrational assignment for ethyl chlorosilane;Spectrochimica Acta Part A: Molecular Spectroscopy;1993-11
2. Infrared and raman spectra, conformational stability, barriers to internal rotation, ab initio calculations, ro structure, and vibrational assignment for methyl vinyl silane;Journal of Molecular Structure;1991-03
3. Rotational potential energy functions in ethylchlorosilane,(chloromethyl)methylsilane, and (chloromethyl) chlorosilane: MM2, MNDO, and ab initio calculations;Journal of Molecular Structure: THEOCHEM;1990-01
4. Conformational analysis and structural determinations from ab initio calculations for vinyl silyl chloride;Journal of Molecular Structure: THEOCHEM;1989-12
5. Chlorosilanes: Development and application of MM2 force field parameters;Journal of Computational Chemistry;1989-09