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Assignments for vibrational spectra of 700 benzene derivatives,volumes 1 and 2 : G. Varsanyi,Adam Hilger,London, 1974, pp. 668, price £25.00 (volumes 1 and 2 as a set)
Authors:J.W. Brasch
Affiliation:Department of Chemistry, Victoria University of Wellington, WellingtonNew Zealand
Abstract:Force constants and normal coordinates are reported for the spiropentane molecule. These data are based on the recently determined fundamental vibration frequencies of spiropentane-H8.The results have been used to predict the fundamentals of spiropentane-D8, to calculate the centrifugal distortion parameters, in particular the parameter r6, which is non-zero for molecules with a four-fold axis of rotation and to calculate thermodynamic parameters. Good agreement is observed between the calorimetric vapour heat capacity of spiropentane and the value based on our assignments for the fundamental vibrations of spiropentane.The transferability of the cyclopropane force field has been tested and shown to be valid for predicting the deformations of the methylene groups of spiropentane.
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