Molecular Vibrations and Structures of High Polymers. I. General Method of Normal Coordinate Treatment by Internal Coordinates and Infrared Frequencies and Conformations of (—CH2—)n, (—CH2–O—)n, and (—CH2–O–CH2—)n

1961 ◽  
Vol 35 (2) ◽  
pp. 693-713 ◽  
Author(s):  
Tatsuo Miyazawa
Keyword(s):  
Molecular Vibrations ◽  
Normal Coordinate ◽  
Internal Coordinates ◽  
Infrared Frequencies ◽  
Coordinate Treatment ◽  
General Method ◽  
High Polymers

On Centrifugal Distortion and Urey-Bradley Force Field of Chlorofluoromethane

1979 ◽  
Vol 34 (8) ◽  
pp. 954-956 ◽  
Author(s):  
A. I. Jaman ◽  
R. N. Nandi
Keyword(s):  
Force Field ◽  
Field Model ◽  
Vibrational Frequencies ◽  
Force Constants ◽  
Centrifugal Distortion ◽  
Normal Coordinate ◽  
Internal Coordinates ◽  
Centrifugal Distortion Constants ◽  
Coordinate Treatment ◽  
Good Agreement

Abstract A normal coordinate treatment of chlorofluoromethane has been performed in the Urey-Bradley force field model using the centrifugal distortion constants and the vibrational frequencies. Since the molecule has only one plane of symmetry (Cs), the symmetrized internal coordinates have not been used in the calculation. The effect of the angular redundancy has been rigorously treated and the derived force constants are in good agreement with those of other halogenated methane.

Molecular Vibrations of High Polymers

1969 ◽  
Vol 2 (2) ◽  
pp. 193-261 ◽  
Author(s):  
Giuseppe Zerbi
Keyword(s):  
Molecular Vibrations ◽  
High Polymers

Harmonic Force Field and Mean Amplitudes for C4Cl4 and C4F4 Compounds

1982 ◽  
Vol 37 (11) ◽  
pp. 1292-1294 ◽  
Author(s):  
G. Díaz
Keyword(s):  
Force Field ◽  
Vibrational Frequencies ◽  
Vibrational Assignment ◽  
Harmonic Force ◽  
Normal Coordinate ◽  
Coordinate Treatment

Normal coordinate treatment of C4F4 and C4Cl4 in the GVFF was performed using published vibrational frequencies. The vibrational assignment for these molecules is discussed. Calculated mean amplitudes for both molecules are reported.

Resonance Raman spectra

1979 ◽  
Vol 293 (1402) ◽  
pp. 287-302 ◽  
Keyword(s):  
Raman Spectra ◽  
Resonance Raman ◽  
Point Group ◽  
Group Symmetry ◽  
Normal Coordinate ◽  
Bond Lengths ◽  
Bending Force ◽  
Resonance Raman Spectra ◽  
Haem Proteins ◽  
Coordinate Treatment

Selection rules for resonance Raman spectra are given for several porphins of D 4h point group symmetry. A normal coordinate treatment is presented, based on a potential function for which stretching and bending force constants are related to bond lengths, and to the product of the bond lengths of the bonds defining the bending angle, respectively. The results can be correlated with the persistent frequencies observed in the resonance Raman spectra of haem proteins where the haem is an iron octasubstituted porphin.

Normal Coordinate Treatment of Dimethyldiacetylene

1955 ◽  
Vol 23 (3) ◽  
pp. 579-582 ◽  
Author(s):  
Alfons Weber ◽  
Salvador M. Ferigle
Keyword(s):  
Normal Coordinate ◽  
Coordinate Treatment
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