ChemInform Abstract: ANALYSIS OF TORSIONAL SPECTRA OF MOLECULES WITH TWO INTERNAL C3V ROTORS. 13. VIBRATIONAL ASSIGNMENTS, TORSIONAL POTENTIAL FUNCTIONS, AND GAS PHASE THERMODYNAMIC FUNCTIONS OF ISOPROPYLAMINE-D0 AND -D2

1979 ◽  
Vol 10 (36) ◽  
Author(s):  
J. R. DURIG ◽  
G. A. GUIRGIS ◽  
D. A. C. COMPTON
Keyword(s):  
Gas Phase ◽  
Thermodynamic Functions ◽  
Potential Functions ◽  
Vibrational Assignments ◽  
Torsional Potential

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.

Vibrational assignments and thermodynamic functions for cis- and trans-1,2-difluoro-1-chlorethylenes

1970 ◽  
Vol 74 (26) ◽  
pp. 4520-4527 ◽  
Author(s):  
Norman C. Craig ◽  
David Albert Evans ◽  
Lawrence G. Piper ◽  
Vicki L. Wheeler
Keyword(s):  
Thermodynamic Functions ◽  
Vibrational Assignments ◽  
Cis And Trans
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