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- W2029181930 abstract "The infrared (3500 to 40 cm−1) and Raman (3500 to 20 cm−1) spectra of gaseous and solid dimethyl vinyl chlorosilane, CH2CHSi(CH3)2Cl, have been recorded. Additionally, the Raman spectrum of the liquid has been recorded and qualitative depolarization values obtained. Both the cis and gauche conformers have been identified in the fluid phases but only the gauche conformer remains in the solid. Variable temperature (− 60 to − 100°C) studies of the infrared spectra of dimethyl vinyl chlorosilane dissolved in liquid xenon have been recorded. From these data the enthalpy difference has been determined to be 41 ± 9 cm−1 (117 ± 26 cal mol−1) with the gauche conformer the more stable rotamer. A complete vibrational assignment is proposed for the gauche conformer based on infrared and Raman relative intensities, depolarization values and group frequencies. Several of the fundamentals for the cis conformer have also been identified. The vibrational assignments are supported by normal coordinate calculations. Complete equilibrium geometries have been determined for both rotamers by ab initio calculations employing the 3-21G∗ and 6-31G∗ basis sets at the levels of the restricted Hartree-Fock (RHF) and Møller-Plesset (MP) to second order. The frequencies for the normal modes and the potential energy terms for the conformer interconversion have been calculated at the MP26-31G∗ level. The results are discussed and compared to those obtained for some similar molecules." @default.
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- W2029181930 date "1997-01-01" @default.
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- W2029181930 title "Spectra and structure of silicon containing compounds: XXIII. Raman and infrared spectra, conformational stability, vibrational assignment and ab initio calculations of dimethyl vinyl chlorosilane" @default.
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- W2029181930 doi "https://doi.org/10.1016/s0022-2860(96)09400-8" @default.
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