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.

Photoacoustic infrared spectra (250–10 000 cm−1) of partially deuterated kaolinite #9

1987 ◽  
Vol 65 (6) ◽  
pp. 1420-1423 ◽  
Author(s):  
K. H. Mlchaelian ◽  
K. Bukka ◽  
D. N. S. Permann
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Infrared And Raman Spectra ◽  
Infrared Band ◽  
Surface Hydroxyl ◽  
Inner Surface ◽  
Stretching Vibrations

Partial deuteration of kaolinite #9 was accomplished by grinding lumps to a size of 9 μm and refluxing a D2O suspension for periods ranging from 8 to 146 h. Photoacoustic infrared spectra were obtained and compared with previously published infrared and Raman spectra of undeuterated kaolinite and with infrared spectra of deuterated kaolinite. Data from this investigation indicate an extent of deuteration of about 20%; with the exception of the OD stretching bands near 2700 cm−1, most of the bands observed are attributable to undeuterated kaolinite. The infrared band at 2718 cm−1, which was previously assigned to uncoupled inner surface OD stretching, is the analogue of the 3684 cm−1 band observed in Raman and photoacoustic infrared spectra of undeuterated kaolinite. The results support assignment of the 3684 cm−1 band to uncoupled inner surface hydroxyl stretching vibrations.

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.

scholarly journals Wasserstoffbrückenbindungen im 7-Azaindol und im 1-Azacarbazol / Hydrogen Bonding in 7-Azaindole and 1-Azacarbazole

1976 ◽  
Vol 31 (11) ◽  
pp. 1391-1393 ◽  
Author(s):  
P. Stäglich ◽  
M. Zander
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Infrared Spectra ◽  
Fermi Resonance ◽  
Band Splitting ◽  
Stretching Vibrations

Abstract Hydrogen Bonding in 7-Azaindole and 1-Azacarbazole Infrared spectra of 7-azaindole, 1-azacarbazole, and their N-deuterated species have been measured in the solid state and in solution. Complicated band splitting observed in the region of 3000 cm-1 is explained by interaction of the N-H stretching vibrations of the cyclic dimers with different overtone and combination vibrations due to Fermi resonance.

The influence of pressure on the infrared spectra of hydrogen-bonded solids. V. The formation of Fermi resonance 'windows'

1977 ◽  
Vol 30 (1) ◽  
pp. 71 ◽  
Author(s):  
SD Hamann
Keyword(s):  
Infrared Spectra ◽  
Isonicotinic Acid ◽  
Wave Functions ◽  
Fermi Resonance ◽  
Absorption Bands ◽  
Bending Vibrations ◽  
Low Frequencies ◽  
Stretching Vibrations ◽  
Solid Compounds ◽  
Smooth Transformation

Measurements have been made of the influence of pressure to 40 kbar on the infrared spectra of the normal and X-deuterated forms of seven solid compounds which have strong X-H...Y hydrogen bonds and whose spectra show very broad and intense X-H stretching bands at low frequencies. For two of the compounds, isonicotinic acid and nicotinic acid, compression causes the smooth transformation of superimposed absorption bands into Fermi resonance 'windows', or 'Evans holes'. The effect probably arises from increased overlap of the wave functions for in-plane ring-bending vibrations and X-H stretching vibrations.

Conformational structure of ethylene glycol dibenzoate. Vibrational and NMR spectra

1981 ◽  
Vol 46 (8) ◽  
pp. 1913-1929 ◽  
Author(s):  
Bohdan Schneider ◽  
Pavel Sedláček ◽  
Jan Štokr ◽  
Danica Doskočilová ◽  
Jan Lövy
Keyword(s):  
Ethylene Glycol ◽  
Vibrational Spectra ◽  
Nmr Spectra ◽  
Coupling Constants ◽  
Conformational Structure ◽  
Infrared And Raman Spectra ◽  
H Nmr ◽  
Liquid States ◽  
Crystalline Forms ◽  
C Nmr

It was found that three crystalline forms of ethylene glycol dibenzoate can be prepared. Infrared and Raman spectra of these three forms, as well as of the glassy and liquid states, were measured. From 3JHH coupling constants obtained by analysis of the 13C satellite band of the -CH2- group in 1H NMR spectra, and from the 3JCH coupling constants of the -CO.O.CH2- fragment obtained by analysis of the carbonyl band in 13C NMR spectra it was found that in the liquid state the -CH2-CH2- group exists predominantly in the gauche conformational structure, and the bonds C-O-C-C assume predominantly a trans orientation. The results of the analysis of NMR and vibrational spectra were used for the structural interpretation of conformationally sensitive bands in vibrational spectra of ethylene glycol dibenzoate.

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