IR spectra of tellurium germanate glasses and their structure

We have used IR spectroscopy to study the structure of tellurium germanate glasses synthesized in the system TeO₂-GeO₂-B₂O₃-PbO. The structure of the glasses consists of [BO₃], [BO₄], [GeO₄], [GeO₆], [TeO₃], and [PbO₆] groups. Changes in the coordination of boron and germanium ions occur when the PbO and GeO₂ contents in the glasses increase. The glasses are attractive for designing optical and laser devices. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 1, pp. 78–81, January–February, 2007.     

IR spectra and the structure of plasticized cellulose acetate films

This study is carried out to investigate the effect of different plasticizers on characteristics of IR spectra of cellulose acetates. It is found that processes of intermolecular interaction between macromolecules of the polymer and molecules of plasticizing materials result in a shift of absorption bands of acetate groups and in changes in attenuation indices for absorption bands of plasticizers and residual hydroxyl groups in the polymer. The deviation of both the positions of frequencies and attenuation indices is determined by the type and concentration of the plasticizer and by the content of bound acetic acid in cellulose acetate films. Institute of Molecular and Atomic Physics of the National Academy of Sciences of Belarus, 70, F. Skorina Ave., Minsk, 220072, Belarus. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 65, No. 6, pp. 869–876, November–December, 1998.     

Signs of structural changes in molecules in IR spectra with pulsed heating

We have shown that in slow thermal reactions of complex molecules, effects of nonradiative transitions due to quantum beats between resonant states of the combining molecular structures can be observed in conventional (without high time resolution) IR absorption spectra, as oscillations in the intensities of individual lines. We suggest a method to ensure the required level of coherence for the oscillations in an ensemble of molecules, based on application of pulsed heating to the molecular system. Detection of the qualitatively new effects by traditional IR spectroscopy methods, including their quantitative characteristics, considerably increases the information content of the spectral data obtained and makes it possible to use such highly developed experimental methods to study chemical reactions, including the reaction dynamics. The range of these reactions is quite broad, encompassing both “laboratory” and “natural” (geochemistry, ecology, etc.) processes with characteristic times on the order of minutes or more. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 6, pp. 738–743, November–December, 2007.     

Change in the IR spectra of polar liquids in an electric field

The IR absorption spectra of thin nitrobenzene, ethylene glycol, and glycerin layers in an electric field are investigated. It was established that the spectrum change and electro-optical effects depend on the molecular structure of these liquids. Grodno State University, 22, Ozheshko St., Grodno, 230023, Belarus. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 65, No. 3, pp. 441–444, May–June, 1998.     

红外光谱仪在红外电磁波吸收材料研究中的应用

以Lambere-Beer定律为基础．根据傅里叶变换红外光谱仪的特点，提出了红外电磁波吸收材料吸波性能的测试方法，并对非晶态SiO2粉末材料的红外电磁波吸收特性进行了讨论．实验结果表明。该方法简便、快速、可操作性强．     

Calculation of polarized IR absorption spectra for trans-1,4-polyisoprenes of various conformations

Polarized IR spectra for two conformations of trans-1,4-polyisoprene (α-and β-gutta-percha) were calculated. The IR dichroism of the absorption bands was calculated for both conformations. The computed results for polarized IR spectra and IR dichroism agree reasonably well with the respective experiment data. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 4, pp. 470–475, July–August, 2008.     

Investigation of the Fiban K-1 Sulfocationite by the IR Spectroscopy Method

Using the IR spectroscopy method, we have studied the state of water, sulfogroups, and adsorbed methanol in a Fiban K-1 fibrous cationite under different conditions of preparation of a sample. It is shown that on an air-dried cationite protonation of methanol is performed by the ionic pair [(H_2n+1O _n )⁺·SO₃ ^–] after vacuum treatment at 20°C and by the ionic pair [H⁺·SO₃ ^–] after vacuum treatment at 90°C.     

Characterization of nanoporous carbon fibrous materials obtained by chemical activation of plane tree seed under ultrasonic irradiation

An ultrasonic irradiation was applied for the impregnation by chemical agents in the chemical activation process of new type of active carbon precursor. Plane tree seed, due to the unique fibrous structure and low cost is a promising eco-friendly raw material for the preparation of activated carbon materials. Ultrasonic irradiation was used for the impregnation step allowing the chemical activation by different agents: potassium or sodium hydroxide, hydrogen peroxide and pyrogallol. The porous structures were examined by nitrogen adsorption/desorption isotherms at 77 K and electrochemically by cyclic voltammetry. The textures of these materials were observed by scanning electron microscopy. The application of ultrasonic irradiation in the impregnation step increased surface area of the final material more than two times in comparison to the material which impregnation in the activation process was by conventional stirring. Ultrasonic irradiation enhances the chemical activation process and the activated carbon fibrous materials with nanoporous structure were obtained by impregnation of seeds with alkaline hydroxides. Total surface areas of these samples were 976 m² g⁻¹ and 1130 m² g⁻¹. These fibers have total specific capacitance as high as 125 F g⁻¹ and 53 F g⁻¹ which major fraction in both cases originate from internal micropores structure.     

Calculation and Analysis of the IR Spectra of Cytosine in Various Phase States

Plane vibrations and intensities of the IR spectra of the ketone and enol forms of cytosine and deuterocytosine in various phase states are calculated and analyzed. It is shown that in a crystalline state and an aqueous solution cytosine forms a hydrogen bond of two types: C₂=O₈...HN₁ and C₂=O₈...HN₁₀, with a stronger intermolecular interaction in both phases being implemented by the hydrogen bonds between the O₈ and N₁ atoms. A satisfactory interpretation of the spectrum of the isolated molecules of cytosine, with the simultaneously existing ketone and enol tautomeric forms, is possible in the presence of the structural isomers of the enol form that differ in the position of multiple bonds.__________Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 72, No. 2, pp. 149–156, March–April, 2005.     

Interpretation of IR spectra of the N-acethyl-4-dimethylaminopyridinium salts

In a harmonic approximation we calculate the frequencies of normal vibrations and their modes for a salt cation of N-acethyl-4-dimethylaminopyridinium hexachlorstibiate and of its three deuteroderivatives obtained on deuteration over a CH₃-group, over a ring, and over a ring and a CH₃-group. From the results of calculation, an interpretation of the IR spectra of the salts considered is carried out. To whom correspondences should be addressed. L. M. Litvinenko Institute of Physical and Organic Chemistry and the Chemistry of Coal, National Academy of Sciences of Ukraine, 70, R. Luxemburg Str., Donetsk, 340114, Ukraine. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 66, No. 2, pp. 158–162, March–April, 1999.     

二氧化锡气敏纳米粉体的红外光谱研究

采用溶胶-凝胶法制备了纳米级SnO2,利用XRD和IR光谱对其晶化过程进行了详细研究。结果表明,硝酸胶溶有利于SnO2纳米晶的生成,676和545cm-1处的红外吸收分别为二氧化锡中Eu型对称的Sn-O的伸缩振动和A2u型对称的O-Sn-O变角振动,且随着纳米粉体热处理温度的升高,峰形窄化,A2u型的变角振动峰强度降低。     

Density functional theory study and vibrational analysis of FT‐IR and FT‐Raman spectra of N‐hydroxyphthalimide

The Fourier transform infrared (FT‐IR) spectrum of N‐hydroxyphthalimide has been recorded in the range of 4000–400 cm⁻¹, and the Fourier transform Raman (FT‐Raman) spectrum of N‐hydroxyphthalimide has been recorded in the range of 4000–50 cm⁻¹. With the hope of providing more and effective information on the fundamental vibrations, the Density Functional Theory (DFT)‐Becke3‐Lee‐Yang‐Parr (B3LYP) level with 6‐31G* basis set has been employed in quantum chemical analysis, and normal coordinate analysis has been performed on N‐hydroxyphthalimide by assuming C_s symmetry. The computational wavenumbers are in good agreement with the observed results. The theoretical spectra obtained along with intensity data agree well with the observed spectra. Copyright © 2009 John Wiley & Sons, Ltd.     

Method for assigning absorption bands in IR spectra of polyatomic molecules with respect to internal vibrational coordinates

A method is proposed for assigning absorption bands in IR spectra of polyatomic molecules. An algorithm is developed and a Fortran program is written based on this method. The method is illustrated for the example of the toluene molecule. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 2, pp. 169–173, March–April, 2007.     

Application of the differential method for determining the composition of a toluene-methyl ethyl ketone mixture by an IR analyzer

A differential method is suggested to analyze two-component systems. It allows a 1.5-fold increase in sensitivity as compared to the ordinary procedure for determination of the composition of toluene-methyl ethyl ketone by an 1R continuous-flow analyzer. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 66, No. 3, pp. 408–409, May–June, 1999.     

A study of the molecular structure of DL-serine with the method of low-temperature IR spectroscopy

Use of low-temperature IR spectroscopy in studies of compounds with a developed system of hydrogen bonds such as DL-serine revealed a complete set of vibrational frequencies. The region of manifestation of stretching vibrations of OH groups involved in the formation of strong hydrogen bonds was found. It is shown experimentally that in a crystal some of the molecules of SL-serine exist in the nonionized form. On the basis of analysis of experimental data, frequency ranges of stretching deformation and torsional vibrations of NH ₃ ⁺ , COO⁻, and OH groups were determined more accurately. It is found that in the crystals there exist molecules of DL-serine with different spatial orientation of NH ₃ ⁺ COO⁻, and COH groups. It is shown that conformational diversity of molecular structures is also preserved at T=18 K. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 65, No. 6, pp. 864–868, November–December, 1998.     

IR spectroscopic determination of alcohols in quenching media

A spectroscopic method is suggested for quantitative determination of some alcohols (1-butanol, 2-methylpropanol-2, 1-hexanol, and glycerol) in mineral oil I-20A used as a quenching medium. The efficiency of the method suggested is tested both in model mixtures and in samples of quenching media. The method can be used in laboratory and industry. A. N. Sevchenko Research Institute of Applied Physical Problems, 7, Kurchatov St., Minsk, 220064, Belarus. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 5, pp. 591–594, September–October, 1997.     

聚乙烯薄膜材料的红外光谱研究

由于红外吸收光谱法具有许多突出的优点,因此它在许多领域有广泛的应用。在薄膜、合成纤维、橡胶、塑料等高聚物的研究方面,用于单体、聚合物、添加剂的定性、定量和结构分析。一般高聚物的红外光谱中谱带的数目很多,而且不同种类的物质其光谱很不相同,特征性很强。此外红外光谱法的制样和实验技术相对比较简单,它适用于各种物理状态的样品。本实验研究以高聚物薄膜材料做样品,对样品高聚物进行红外光谱分析,分析表明,本实验所用样品高聚物成分为聚乙烯材料,这个实验结果也表明,用红外光谱法鉴定高聚物的组成非常有效。红外光谱法用于定量组分分析,与其它测量方法相比,具有制样简单方便、重复性好和测量精度高的特点。     

Ir spectra of preparations of ozonized pyrocatechin

We investigate IR spectra of the solid phase of products obtained at different stages in the process of ozonizing aqueous solutions of pyrocatechin. We found that melanin structures are formed in the process of pyrocatechin ozonization. The existence of intra- and intermolecular interactions in the melanin preparations formed, leading to the formation of molecular associates, is shown. Thorough treatment of preparations with ozone leads to destruction of polymer systems and formation of water-soluble products of acid type. Belarusian State University, 4, F. Skorina Ave., Minsk, 220050, Belarus, Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 65, No. 2, pp. 196–199, March–April, 1998.     

IR absorption and surface-enhanced Raman spectra of the isoquinoline alkaloid berberine

We present the IR absorption and surface-enhanced Raman scattering (SERS) spectra of the isoquinoline alkaloid berberine adsorbed on a silver hydrosol and on the surface of a silver electrode for different potentials. Based on quantum chemical calculations, for the first time we have assigned the vibrations in the berberine molecule according to vibrational mode. The effect of the potential of the silver electrode on the geometry of sorption of the molecule on the surface is considered, assuming a short-range mechanism for enhancement of Raman scattering. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 1, pp. 31–36, January–February, 2007.