The infrared and Raman spectra of phenyl acetate, phenyl-d5 acetate, and phenyl acetate-d3

1969 ◽  
Vol 22 (4) ◽  
pp. 691 ◽  
Author(s):  
H Lee ◽  
JK Wilmshurst
Keyword(s):  
Carbon Tetrachloride ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Carbon Disulphide ◽  
Fermi Resonance ◽  
Phenyl Acetate ◽  
Rotational Isomer ◽  
Infrared And Raman Spectra

The infrared spectra of phenyl acetate, phenyl-d5 acetate, and phenyl acetate-d3 as solutions in carbon tetrachloride or carbon disulphide have been recorded in the 4000-100 cm-1 region together with the Raman spectra of the pure liquids. The data are consistent with the assumption of a single rotational isomer and support the previous1 interpretation of the complex carbonyl region observed in the phenolic acetates as arising from a single fundamental in Fermi resonance with one or more combination tones.

The structures and vibrational spectra of methyl chloroformate and dimethyl carbonate

1966 ◽  
Vol 19 (9) ◽  
pp. 1637 ◽  
Author(s):  
B Collingwood ◽  
H Lee ◽  
JK Wilmshurst
Keyword(s):  
Carbon Tetrachloride ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Dimethyl Carbonate ◽  
Carbon Disulphide ◽  
Vapour Phase ◽  
Carboxylate Group ◽  
Infrared Band

The infrared spectra of methyl chloroformate and dimethyl carbonate in the vapour phase and as solutions in carbon disulphide and carbon tetrachloride have been obtained from 4000 to 400 cm-1 together with the Raman spectra of the liquids. The infrared band contours for both molecules are consistent with a cis configuration of the carboxylate group and the spectra may be interpreted satisfactorily on this basis.

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.

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.

INFRARED AND RAMAN SPECTRA OF CYANURIC FLUORIDE

1964 ◽  
Vol 42 (3) ◽  
pp. 690-695 ◽  
Author(s):  
James E. Griffiths ◽  
Donald E. Irish
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Infrared And Raman Spectra ◽  
Polarization Measurements

Infrared spectra (250–2000 cm−1) and Raman displacements (Δv = 100–1800 cm−1) with qualitative polarization measurements are reported for cyanuric fluoride. All of the active fundamentals are assigned on the basis of a planar D3h model: a1′ = 1496, 999, 642; e′ = 1617, 1424, 1087, 576, 378; a2″ = 817, 436; e″ = 743 and 226 cm−1.

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.

Far-infrared and Raman Spectra of Crystalline ICN

1971 ◽  
Vol 49 (14) ◽  
pp. 2459-2462 ◽  
Author(s):  
R. Savoie ◽  
M. Pézolet
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
High Frequency ◽  
Far Infrared ◽  
Infrared And Raman Spectra ◽  
Infrared Band ◽  
Longitudinal Modes ◽  
Intensity Measurements ◽  
Cyanogen Iodide ◽  
Far Infrared Spectra

The Raman and far-infrared spectra of crystalline cyanogen iodide have been recorded. High-frequency shoulders alongside the Raman bands confirm the piezoelectric nature of this solid and allow an estimate to be made of the frequencies of the longitudinal modes associated to the fundamental vibrations. Dipole derivatives calculated from these frequencies agree qualitatively with those obtained from infrared band intensity measurements.

Far infrared and Raman spectra of some crystalline halomercurate(II) complexes

1966 ◽  
Vol 19 (9) ◽  
pp. 1603 ◽  
Author(s):  
GB Deacon ◽  
JHS Green ◽  
W Kynaston
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Far Infrared ◽  
Vibrational Frequencies ◽  
Infrared And Raman Spectra

The infrared spectra (500-40 cm-1) of crystalline (Me4N)2HgCl4, Me4NHgCl3, and (Et4As)2HgI4, and the Raman spectra of the first two compounds, have been recorded. Assignments of the vibrational frequencies are made and discussed in relation to the structure of the anions.

The Vibrational Spectra of VPO5 Crystal Phases and Related Glasses

1977 ◽  
Vol 31 (3) ◽  
pp. 230-236 ◽  
Author(s):  
R. N. Bhargava ◽  
R. A. Condrate
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Rayleigh Scattering ◽  
Physical Adsorption ◽  
Group Analysis ◽  
Phosphate Glasses ◽  
Infrared And Raman Spectra ◽  
Vanadium Phosphate ◽  
Space Groups

Infrared and Raman spectra were measured and interpreted for two crystalline VPO5 phases (α- and β-VPO5) and several related vanadium phosphate glasses. The spectral results for the crystalline phases were consistent with those predicted by factor group analysis using the previously determined space groups. Empirical band assignments were made for the observed bands on the basis of the bands observed earlier for related phosphate and oxyvanadium compounds. Also, the band assignments made for the infrared spectra of the glasses were consistent with the assignments for crystalline V2O5 and the two crystalline VPO5 phases. No Raman spectra were observed for the glasses because processes involving adsorption and Rayleigh scattering dominated over Raman scattering. The infrared spectra of vanadium phosphate glasses with high P2O5 concentrations possessed many features resembling those observed in the infrared spectra of α-VPO5, suggesting similarities in the short range order for the two materials. Analyses of the vibrational spectra of hydrated α-VPO5 samples suggests that the water molecules are adsorbed in the interlamellar spaces of the crystals, complexing to vanadium ions. Initial steps in the hydration of vanadium phosphate glasses apparently involve physical adsorption of water on their surfaces. No water adsorption could be detected for β-VPO5 under normal conditions from its infrared and Raman spectra.

C=O Stretching vibrations in Raman and infrared spectra of simple esters

1982 ◽  
Vol 47 (8) ◽  
pp. 2027-2036 ◽  
Author(s):  
Jiří Dybal ◽  
Jan Štokr ◽  
Bohdan Schneider
Keyword(s):  
Infrared Spectra ◽  
Methyl Acetate ◽  
Butyl Acetate ◽  
Dielectric Constants ◽  
Fermi Resonance ◽  
Conformational Structure ◽  
Infrared And Raman Spectra ◽  
Tert Butyl ◽  
Acetate Methyl ◽  
Stretching Vibrations

Infrared and Raman spectra of methyl acetate, tert-butyl acetate, methyl pivalate and tert-butyl pivalate were measured in the liquid and crystalline states and solutions of different dielectric constants. In these molecules, the bands of the C=O str. vibrations are not affected by conformational structure. The shape and position of the band of the C=O str. vibration in methyl acetate are primarily determined by intermolecular order created by interactions of the permanent dipoles of the molecules. In methyl pivalate and in tert-butyl acetate, the shape of the carbonyl band is mainly determined by Fermi resonance.

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