Conformational stability, ab initio calculations and vibrational assignment for 1, 1-difluoro-and 1, 1-dichloro-1-silacyclopentane
S Bell, HD Stidham, AJ LaPlante, YY Zheng…
文献索引：Bell, Stephen; Stidham, Howard D.; LaPlante, Arthur J.; Zheng, Ya Ying; Guirgis, Gamil A. Journal of Molecular Structure, 2011 , vol. 992, # 1-3 p. 1 - 8
The infrared spectrum (3200–400cm− 1) of the gas and the Raman spectrum (3200–50cm− 1) of liquid and solid 1, 1-difluoro-1-silacyclopentane and 1, 1-dichloro-1-silacyclopentane have been recorded. In all of these physical states only the twisted (C2) conformer was detected. The conformational energies have been calculated with the Moller–Plesset perturbation method to the second order; MP2 (Full) as well as the density functional ...
