THE INFRARED AND RAMAN SPECTRA OF TOLUENE, TOLUENE-α-d3, m-XYLENE, AND m-XYLENE-αα′-d6

1957 ◽  
Vol 35 (8) ◽  
pp. 911-925 ◽  
Author(s):  
J. K. Wilmshurst ◽  
H. J. Bernstein
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Infrared And Raman Spectra ◽  
Polarization Data ◽  
Vibrational Assignments ◽  
Ratio Rule ◽  
Depolarization Ratios

The infrared spectra of toluene, toluene-α-d3, m-xylene, and m-xylene-αα′-d6 have been obtained from 2 to 30 μ for the vapors and liquids. The Raman spectra of the liquids have also been obtained photoelectrically together with depolarization ratios. Vibrational assignments have been made for the four molecules consistent with vapor band contours, polarization data, the Teller Redlich ratio rule, and a modified ratio rule due to Fitzer and Scott.

THE VIBRATIONAL SPECTRA OF THE FORMATE, ACETATE, AND OXALATE IONS

1956 ◽  
Vol 34 (2) ◽  
pp. 170-178 ◽  
Author(s):  
K. Ito ◽  
H. J. Bernstein
Keyword(s):  
Aqueous Solution ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Vibrational Assignments ◽  
Oxalate Ions ◽  
Oxalate Ion ◽  
Depolarization Ratios

The infrared spectra of the formate, acetate, and oxalate ions have been obtained for both the solid and aqueous solution. The Raman spectra of these ions with depolarization ratios have been obtained in aqueous solution. Vibrational assignments have been made which differ slightly for the acetate ion and more markedly for the oxalate ion from earlier work. The depolarization ratios confirm Fonteyne’s assignment for the formate ion.

THE INFRARED AND RAMAN SPECTRA OF HC(CD3)3 AND DC (CD3)3

1957 ◽  
Vol 35 (9) ◽  
pp. 969-979 ◽  
Author(s):  
J. K. Wilmshurst ◽  
H. J. Bernstein
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment ◽  
Difference Tones ◽  
Modified Assignments ◽  
Depolarization Ratios

The Raman spectra of liquid (CD3)3CH and (CD3)3CD were obtained photoelectrically together with depolarization ratios, and the infrared spectra of the corresponding gases were obtained from 3 to 35 μ. A vibrational assignment consistent with depolarization ratios and band contours has been made for the molecules on the basis of C3v symmetry. The spectra have been correlated with the spectra of (CH3)3CH and (CH3)3CD and modified assignments for two modes have been given for these molecules. Tentative assignments have been made for the 'inactive' A2 modes (which are 'active' if the molecule has symmetry C3) to explain some of the observed frequencies around 1000 cm.−1 which could not be satisfactorily assigned as summation or difference tones.

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.

The Vibrational Spectra and Normal Coordinate Analysis of 3,3,3-Trifluoropropene and Hexafluoropropene

1979 ◽  
Vol 34 (11) ◽  
pp. 1320-1329 ◽  
Author(s):  
D. Christen ◽  
V. Hoffmann ◽  
P. Klaeboe
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Vapour Phase ◽  
Normal Coordinate Analysis ◽  
Polarization Data ◽  
Normal Coordinate ◽  
Torsional Mode ◽  
Vibrational Assignments ◽  
Polarization Measurements

The infrared spectra of 3,3,3-trifluoropropene and hexafluoropropene were studied in the vapour phase and in solution between 4000 and 40 cm-1 . Raman spectra of the compounds as vapours and liquids were recorded and polarization data obtained.The spectra of both molecules are interpreted in terms of Cs symmetry. Complete vibrational assignments, including the torsional mode, are presented, based upon infrared and Raman vapour contours, Raman polarization measurements and the results of a normal coordinate analysis

Normal Coordinate Analysis of Benitoite (BaTiSi3O9) and its Constituent Ring

1992 ◽  
Vol 291 ◽  
Author(s):  
Charles C. Kim ◽  
M. I. Bell ◽  
D. A. McKeown
Keyword(s):  
Crystal Structure ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Normal Modes ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Structure Space ◽  
New Information ◽  
Atomic Interactions ◽  
Modes Of Vibration

ABSTRACTThe normal modes of vibration and their frequencies are calculated for benitoite, a mineral whose crystal structure (space group D23h) consists of three-membered silicate rings (Si3O9) linked by Ba+2 and Ti+4 ions. The calculation unambiguously assigns the normal modes to the lines in the Raman and infrared spectra and determines the atomic interactions. On the assumption that mode mixings and splittings due to inter-ring interactions are small, the normal frequencies of the isolated ring of C3h, symmetry are determined. The identification of normal modes characteristic of three-membered silicate rings may prove to be a valuable guide in the interpretation of the infrared and Raman spectra of amorphous silicates, potentially leading to new information on the ring statistics of these materials.

Vibrational Spectra of Triphenyl Compounds of Group VA Elements

1969 ◽  
Vol 23 (1) ◽  
pp. 12-16 ◽  
Author(s):  
Kosuke Shobatake ◽  
Clarence Postmus ◽  
John R. Ferraro ◽  
Kazuo Nakomoto
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Phenyl Group ◽  
Normal Coordinate Analysis ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Bending Vibrations ◽  
Depolarization Ratios

The infrared and Raman spectra of triphenyl compounds of Group VA elements PPh3, AsPh3, SbPh3, and BiPh3 (Ph represents the phenyl group), have been reported in the 530–100 cm−1 region. The metal-phenyl stretching and bending vibrations have been assigned with the aid of approximate normal coordinate analysis and depolarization ratios of Raman lines.

Infrared and Raman Spectra of Spiropentane-H8

1972 ◽  
Vol 26 (5) ◽  
pp. 540-542 ◽  
Author(s):  
G. R. Burns ◽  
D. G. McGavin
Keyword(s):  
Low Temperature ◽  
Infrared Spectrum ◽  
Gas Phase ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Sufficient Information ◽  
Infrared And Raman Spectra ◽  
Calorimetric Data ◽  
Crystalline Films ◽  
Twist Mode

Infrared and Raman spectra have been measured for spiropentane-H8. Raman spectra for the liquid have enabled the b1 species ring twist to be assigned. Previous assignments of this mode were based on calorimetric data and on the assignment of a band in the infrared spectrum to a combination band involving the ring twist mode. Infrared spectra of low temperature crystalline films have provided sufficient information that, when taken with the Raman data and gas phase infrared spectra, we have assignments for all of the fundamental modes.

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