Infrared and Raman spectra, vibrational assignment and normal coordinate calculations for ethylisothiocyanate-d0 and -d5

1984 ◽  
Vol 40 (8) ◽  
pp. 739-750 ◽  
Author(s):  
J.R. Durig ◽  
H.L. Heusel ◽  
J.F. Sullivan ◽  
Stephen Cradock
Keyword(s):  
Raman Spectra ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment ◽  
Normal Coordinate

The Infrared and Raman Spectra and Vibrational Assignment of t-Butyl Bromide-h9 and -d9

1973 ◽  
Vol 51 (20) ◽  
pp. 3344-3353 ◽  
Author(s):  
John E. Bertie ◽  
Sham Sunder
Keyword(s):  
Thermodynamic Properties ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Average Error ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment ◽  
Normal Coordinate ◽  
Butyl Bromide ◽  
Fundamental Frequencies ◽  
Liquid States

The infrared spectra between 4000 and 10 cm−1 of t-butyl bromide-h9 and -d9 in the gas and liquid states, and the Raman spectra between 3500 and 10 cm−1 of the liquids under parallel and perpendicular polarizations, have been recordeds and assigned. The compatibility of the assignments for the light and heavy molecules has been checked by normal coordinate calculations, in which 14 valence force constants have reproduced 40 fundamental frequencies with an average error of 1.5%. The calculated thermodynamic properties of both molecules are presented for temperatures between 50 and 500 °K.

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