ChemInform Abstract: ANALYSIS OF TORSIONAL SPECTRA OF MOLECULES WITH TWO INTERNAL C3V ROTORS. 16. INFRARED AND RAMAN SPECTRA, VIBRATIONAL ASSIGNMENT, METHYL TORSIONAL POTENTIAL FUNCTION, AND GAS PHASE THERMODYNAMIC FUNCTIONS OF 2,3-DIMETHYLBUTA-1,3-DIENE

1980 ◽  
Vol 11 (6) ◽  
Author(s):  
J. R. DURIG ◽  
D. A. C. COMPTON
Keyword(s):  
Gas Phase ◽  
Potential Function ◽  
Raman Spectra ◽  
Thermodynamic Functions ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment ◽  
Torsional Potential

Infrared and Raman spectra and vibrational assignment of methylene cyclopropane-h6 and -d6

1970 ◽  
Vol 48 (24) ◽  
pp. 3889-3902 ◽  
Author(s):  
J. E. Bertie ◽  
M. G. Norton
Keyword(s):  
Liquid Phase ◽  
Gas Phase ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment ◽  
Isotope Shifts ◽  
Liquid Phases ◽  
Modes Of Vibration ◽  
Depolarization Ratios

Infrared spectra have been recorded in the range 4000 to 20 cm−1 for methylene cyclopropane-h6 and -d6 in the gas phase, and from 4000 to 200 cm−1 for methylene cyclopropane-h6 in the liquid phase. Raman spectra have been recorded for the liquid phases of both species. The fundamental modes of vibration have been assigned using i.r. band contours and Raman depolarization ratios, with the exception of the i.r. inactive A2 modes which were not observed. An interesting feature is the occurrence of remarkably small isotope shifts for certain modes.

Torsional Potential Function of Glyoxal

1975 ◽  
Vol 53 (19) ◽  
pp. 1832-1837 ◽  
Author(s):  
J. R. Durig ◽  
W. E. Bucy ◽  
A. R. H. Cole
Keyword(s):  
Potential Function ◽  
Raman Spectra ◽  
Molecular Geometry ◽  
Potential Functions ◽  
Infrared And Raman Spectra ◽  
Intensity Data ◽  
Vibrational Assignments ◽  
Torsional Potential ◽  
Trans Conformer ◽  
Infrared Data

We have shown, using the fact that glyoxal exists in the trans conformer and the pseudo stable cis conformer, a potential function can be calculated which fits the infrared data of the trans conformer and the microwave intensity data of the cis conformer. This potential function was extended to the d1 and d2 analogs. A study of the potential function of 1,3-butadiene using a different molecular geometry than was previously used was undertaken. Results are presented with different possible vibrational assignments and potential functions which would be consistent with the observed infrared and Raman spectra.

Infrared and Raman spectra, vibrational assignment, and ab initio calculations of fluoromalononitrile

1997 ◽  
Vol 53 (12) ◽  
pp. 2001-2012 ◽  
Author(s):  
M. Dakkouri ◽  
A. Grunvogel-Hurst ◽  
Gamil A. Guirgis ◽  
Zhenhong Yu ◽  
Yanping Jin ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment
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