Add time:09/10/2019         Source:sciencedirect.com

The molecular structure and conformation of dichloromethylvinylsilane in the gas phase have been determined by electtron diffraction. A force-field, which reproduced experimental vibrational frequencies, was used to calculate mean-square amplitudes of vibration and shrinkage corrections, so that the rα structure could be determined. At room temperature, 67(19)% of the molecules were in a gauche conformation in which the CCSiC dihedral angle was 104(5)°, while the remaining molecules adopted a conformation in which this angle was 0°. The principal refined parameters were r(CC) 131.9(7) pm, r(SiCl) 204.8(2) pm, ∠CSiCl 108.4(4)° and ∠CSiC 115.6(13)°. The SiC(methyl) and SiC(vinyl) distances were refined as a single parameter, with the difference between them being fixed at 2.3 pm. The SiC(methyl) distance was then 186.0(3) pm. The SiCC angle refined to 124.3(13)° in the gauche conformer, with the angle in the other conformer fixed at 1.2° larger than this.

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