scholarly journals Group vibrations and the vibrational analysis of molecules containing the CD3 group

1968 ◽  
Vol 46 (12) ◽  
pp. 2175-2178 ◽  
Author(s):  
J. M. Freeman ◽  
T. Henshall

The procedure introduced by King and Crawford for the simplification of the molecular vibrational problem by factorization from the secular determinant of characteristic group frequencies, and applied by them to the CD3 group, has been reexamined and programmed in English-Electric KDF-9 Algol. A few small corrections have been made to their results, and equations are given for the calculation of CD3 group frequencies in molecules bearing such groups.The group factorization procedure has also been applied to the calculation of the skeletal frequencies of ααα-d3-dimethyl sulfide and d6-dimethyl selenide.


1968 ◽  
Vol 46 (12) ◽  
pp. 2129-2134 ◽  
Author(s):  
J. M. Freeman ◽  
T. Henshall

The vibrations of the methylene group first considered by King have been reexamined; and the group factorization procedure previously applied to molecules containing methyl groups has now been extended to molecules containing methylene groups. The vibrational analysis of such molecules can be simplified by factoring from the secular determinant those frequencies that are characteristic of the symmetric and antisymmetric CH2 stretching, and the [Formula: see text] angle bending modes. Corrections are then applied to the G and F matrices to account for the interactions with the molecular framework of the CH2 'rocking', and [Formula: see text] angle deformation modes, where the atoms X may form part of a ring system.



1969 ◽  
Vol 47 (6) ◽  
pp. 935-948 ◽  
Author(s):  
J. M. Freeman ◽  
T. Henshall

An investigation has been undertaken of the characteristic in-plane group vibrations of the vinylidene and d2-vinylidene groups from the viewpoints both of approximation methods of the vibrational analysis of, and aids to assignments in, molecules containing such groups.The need in these studies for reliable force fields for the vinylidene halides has caused us to undertake a normal coordinate analysis of the in-plane vibrations of these molecules using a modified valence force field, and including all the available information from the hydrogen and deuterium isotopically substituted species.



2012 ◽  
Vol 68 (9) ◽  
pp. m1166-m1166 ◽  
Author(s):  
Masatoshi Matsuura ◽  
Takashi Fujihara ◽  
Akira Nagasawa ◽  
Seik Weng Ng


1973 ◽  
Vol 28 (11) ◽  
pp. 1787-1793 ◽  
Author(s):  
S. J. Cyvin ◽  
V. Devarajan ◽  
J. Brunvoll ◽  
Ø . Ra

The molecular vibrations of cyclic (HF)6 are studied. The consequences of complex characters for irreducible representations of the appropriate point group (C6h) are elucidated. The secular equation of the vibrational problem is solved in terms of real coordinates. Those of the degenerate species were obtained by a transformation of the complex symmetry coordinates. The force constants were taken from solid HF data. Mean amplitudes of vibration were calculated and compared with electron diffraction results.



1976 ◽  
Author(s):  
C. W. Suggs ◽  
John Wayne Mishoe


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