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 OF ACETALDEHYDE AND ACETALDEHYDE-d1

1956 ◽  
Vol 34 (8) ◽  
pp. 1083-1092 ◽  
Author(s):  
J. C. Evans ◽  
H. J. Bernstein
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Vibrational Assignment ◽  
Depolarization Ratios

The Raman spectra of liquid CH3CHO and CH3CDO were obtained photo-electrically and depolarization ratios measured. Infrared spectra of the vapors and solids were also obtained. A vibrational assignment is given and the spectra correlated. The vibrational spectra of the acetyl halides reported in the literature are also correlated.

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 Infrared and Raman Spectra and Vibrational Assignment of t-Butyl Bromide-h9 and -d9

1973 ◽  
Vol 51 (20) ◽  
pp. 3344-3353 ◽  
Author(s):  
John E. Bertie ◽  
Sham Sunder
Keyword(s):  
Thermodynamic Properties ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Average Error ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment ◽  
Normal Coordinate ◽  
Butyl Bromide ◽  
Fundamental Frequencies ◽  
Liquid States

The infrared spectra between 4000 and 10 cm−1 of t-butyl bromide-h9 and -d9 in the gas and liquid states, and the Raman spectra between 3500 and 10 cm−1 of the liquids under parallel and perpendicular polarizations, have been recordeds and assigned. The compatibility of the assignments for the light and heavy molecules has been checked by normal coordinate calculations, in which 14 valence force constants have reproduced 40 fundamental frequencies with an average error of 1.5%. The calculated thermodynamic properties of both molecules are presented for temperatures between 50 and 500 °K.

Spectra and Structure of Silicon-Containing Compounds. XII. Infrared and Raman Spectra of Trimethylvinylsilane and Trimethyl-D9-vinylsilane

1980 ◽  
Vol 34 (1) ◽  
pp. 60-65 ◽  
Author(s):  
J. R. Durig ◽  
W. J. Natter ◽  
M. Johnson-Streusand
Keyword(s):  
Internal Rotation ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Isotopic Substitution ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment ◽  
Infrared Band ◽  
Frequency Shifts ◽  
Solid States ◽  
Barriers To Internal Rotation

The Raman spectra (0 to 3300 cm−1) of (CH3)3Si(CHCH2) and (CD3)3Si(CHCH2) in the gaseous, liquid and solid states have been recorded. The infrared spectra (20 to 3300 cm−1) of the same two compounds in the gaseous and solid states have also been recorded. A vibrational assignment based upon depolarization ratios, frequency shifts with isotopic substitution, infrared band contours, and group frequencies is proposed. The SiC3 torsion was observed at 55 and 50 cm−1 for the “light” and “heavy” molecules, respectively, and the barriers to internal rotation were calculated to be 0.73 kcal/mol and 0.64 kcal/mol for the light and heavy compounds, respectively. These results are compared to the corresponding data for similar molecules.

scholarly journals THE VIBRATIONAL SPECTRA OF ISOBUTANE AND ISOBUTANE-d1

1956 ◽  
Vol 34 (8) ◽  
pp. 1037-1045 ◽  
Author(s):  
J. C. Evans ◽  
H. J. Bernstein
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Vibrational Assignment ◽  
Depolarization Ratios

The Raman spectra of liquid (CH3)3CH and (CH3)3CD were obtained photo-electrically and intensities and depolarization ratios measured. 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 C3ν symmetry and their spectra correlated.

THE VIBRATIONAL SPECTRA OF PYRIDINE, PYRIDINE-4-d, PYRIDINE-2,6-d2, AND PYRIDINE-3,5-d2

1957 ◽  
Vol 35 (10) ◽  
pp. 1183-1194 ◽  
Author(s):  
J. K. Wilmshurst ◽  
H. J. Bernstein
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Thermodynamic Functions ◽  
Vibrational Spectra ◽  
Vibrational Assignment ◽  
Vapor State ◽  
Depolarization Ratios

The infrared spectra of pyridine and pyridine-4-d in the vapor state and of pyridine-2,6-d2 and pyridine-3,5-d2 in the liquid and vapor states have been obtained. The Raman spectra of pyridine-4-d, pyridine-2,6-d2, and pyridine-3,5-d2 as liquids have also been obtained together with depolarization ratios. The vapor band contours for pyridine support the assignment of Corrsin, Fax, and Lord in most part in preference to the assignment of McCullough and co-workers but it was found necessary to reassign the b2 frequencies to give agreement between calculated and observed thermodynamic functions. The infrared and Raman data on pyridine-4-d are in agreement with the reported assignment for the a1, a2, and b1 modes but it was found necessary to reassign the b2 frequencies consistent with the present assignment in pyridine. A complete vibrational assignment for pyridine-2,6-d2 and pyridine-3,5-d2 has been made consistent with the present assignment in pyridine.

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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