Anharmonic interactions and Fermi resonance in the vibrational spectra of alcohols

Atamas, N. A.; Yaremko, A. M.; Bulavin, L. A.; Pogorelov, V.; Berski, Sławomir; Latajka, Zdzisław; Ratajczak, H.; Abkowicz-Bieńko, Agnieszka J

doi:10.1016/s0022-2860(01)00762-1

Cited by 25 publications

(26 citation statements)

References 5 publications

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“…Figure b displays the ATR–FTIR spectrum of the coating obtained at [AA] in the feed of 19 ppm. The main spectral features are the broad OH stretching band between 3 700 and 2 300 cm −1 (due to both carboxylic acid and alcoholic groups), the superimposed CH x stretching absorptions (3 000–2 800 cm −1 ), a weak broad band centered at 2 640 cm −1 ascribable to the combined low frequency vibrations of CO and OH in COH moieties (associated to both carboxylic acid and alcoholic groups) enhanced by Fermi resonance with the fundamental OH stretching vibration, the CO stretching peak (1 715 cm −1 ), the CH x bending absorptions (1 500–1 350 cm −1 ). The complex profile of the OH stretching band, due to the contributions of different types of OH groups (e.g., OH moieties both in free and H‐bonded COOH groups), as well as the absorption band due to the CO/OH combined vibrational mode are characteristic of poly(acrylic acid) .…”

Section: Resultsmentioning

confidence: 95%

Deposition of Water-Stable Coatings Containing Carboxylic Acid Groups by Atmospheric Pressure Cold Plasma Jet

Bosso

Fanelli

Fracassi

2015

Plasma Process. Polym.

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Thin films containing carboxylic acid groups are deposited from mixtures of helium, acrylic acid, and ethylene using an atmospheric pressure cold plasma jet in dielectric barrier discharge (DBD) configuration. The influence of the feed gas composition on the properties of the deposits is investigated. As assessed by X-ray photoelectron spectroscopy (XPS), the oxygen atomic concentration of the coatings as well as the percentage of the XPS C1s component ascribed to carboxylic groups (i.e., COOH and COOR moieties) increase with the acrylic acid concentration in the feed gas. On the other hand, ethylene addition enhances the deposition rate, reduces the carboxylic groups content of the coatings, and significantly improves their chemical and morphological stability upon immersion in water for 72 h. The surface concentration of COOH groups before and after immersion in water is determined by chemical derivatization in conjunction with XPS

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Section: Resultsmentioning

confidence: 95%

Deposition of Water-Stable Coatings Containing Carboxylic Acid Groups by Atmospheric Pressure Cold Plasma Jet

Bosso

Fanelli

Fracassi

2015

Plasma Process. Polym.

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“…At the same time, the temperature dependence of the heat capacity of water [17] undoubtedly testifies to the necessity to consider the contributions made by hydrogen bonds (the energy of these bonds is about (1.5÷3)k B T tr ). A new view on the character of the intermolecular interaction also follows from the systematization of liquids proposed by Leonid Bulavin [18] (see also works [19][20][21]). …”

Section: Introductionmentioning

confidence: 99%

Physical Nature of Hydrogen Bond

Zhyganiuk

Malomuzh

2015

Ukr. J. Phys.

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PHYSICAL NATURE OF HYDROGEN BOND PACS 82.30.RsThe physical nature and the correct definition of hydrogen bond (H-bond) are considered. The influence of H-bonds on the thermodynamic, kinetic, and spectroscopic properties of water is analyzed. The conventional model of H-bonds as sharply directed and saturated bridges between water molecules is incompatible with the behavior of the specific volume, evaporation heat, and self-diffusion and kinematic shear viscosity coefficients of water. On the other hand, it is shown that the variation of the dipole moment of a water molecule and the frequency shift of valence vibrations of a hydroxyl group can be totally explained in the framework of the electrostatic model of H-bond. At the same time, the temperature dependences of the heat capacity of water in the liquid and vapor states clearly testify to the existence of weak H-bonds. The analysis of a water dimer shows that the contribution of weak H-bonds to its ground state energy is approximately 4-5 times lower in comparison with the energy of electrostatic interaction between water molecules. A conclusion is made that H-bonds have the same nature in all other cases where they occur.K e y w o r d s: hydrogen valence vibrations of a water molecule, frequency shift, hydrogen bond, electrostatic origin.The hydrogen bond is a phlogiston of the 20-th century. L. BULAVIN

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“…With the Fermi resonance coupling, the intensity of overtone transition is usually comparable to that of the fundamental of the symmetric stretching mode, presenting new spectral features in the C-H stretching region. In fact, Atamas et al 23 first suggested the existence of Fermi resonance when studying the Raman spectra of a series of liquid alcohols. However, they did not give an unambiguous spectral assignment.…”

Section: Introductionmentioning

confidence: 99%

New C−H Stretching Vibrational Spectral Features in the Raman Spectra of Gaseous and Liquid Ethanol

et al. 2007

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Traditionally, the Raman spectrum of ethanol in the C-H vibrational stretching region between 2800 cm -1 and 3100 cm -1 had been assigned as three bands of the -CH 2 symmetric stretching, the -CH 3 symmetric stretching, and the -CH 3 antisymmetric stretching. In this report, new Raman spectral features were observed for ethanol and two deuterated ethanols, that is, CD 3 CH 2 OH and CH 3 CD 2 OH, in both gaseous and liquid phases with polarized photoacoustic Raman spectroscopy (PARS) as well as normal Raman spectroscopy. With the aid of depolarization ratio measurements and quantum chemical calculations, different assignments were presented to the complex spectral features in the ethanol Raman spectra. In the gaseous ethanol spectra, the band at ∼2882 cm -1 was assigned to the overlapping symmetric stretching vibrational modes of both -CH 2 and -CH 3 ; the band at ∼2938 cm -1 was assigned to the two symmetric -CH 3 Fermi resonance modes and the weak -CH 2 antisymmetric stretching mode; and the band at ∼2983 cm -1 was assigned to the symmetric -CH 2 Fermi resonance mode and the weak -CH 3 antisymmetric stretching mode. The liquid ethanol spectral features are similar to the gaseous spectra with a much stronger -CH 3 antisymmetric stretching mode and a red shift of about 10 cm -1 , which can be attributed to the effects of solvent interactions. The new assignments of both the gaseous and liquid ethanol spectra not only confirmed the recent results from the sum-frequency generation vibrational spectroscopy studies of the ethanol molecules at the air/liquid interface but the differences in the gaseous and liquid phases, as well as at the interfaces, can also provide detailed experimental evidence in understanding of the molecular interactions and dynamics of the ethanol molecule in different chemical environments.

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Anharmonic interactions and Fermi resonance in the vibrational spectra of alcohols

Cited by 25 publications

References 5 publications

Deposition of Water-Stable Coatings Containing Carboxylic Acid Groups by Atmospheric Pressure Cold Plasma Jet

Deposition of Water-Stable Coatings Containing Carboxylic Acid Groups by Atmospheric Pressure Cold Plasma Jet

Physical Nature of Hydrogen Bond

New C−H Stretching Vibrational Spectral Features in the Raman Spectra of Gaseous and Liquid Ethanol

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