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Article
Spectral Luminescent Properties and Nature of Electronically Excited States of Sulfaguanidine in Water
The absorption and fluorescence spectra of sulfaguanidine, its complexes with hydrogen bonds, and doubly charged cationic forms have been studied experimentally and theoretically. The orbital nature of electro...
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Article
Participation of Ionic Forms in Bisphenol Phototransformation Under Sunlight Exposure
The absorption and fluorescence spectra of charged anionic and cationic forms of bisphenol A (BPA) have been studied. The nature of electronically excited states and the photolysis of the BPA molecule have bee...
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Article
Development of A. N. Terenin’s Ideas at Tomsk State University: Stages and Personalia
The stages of development of molecular photonics at Tomsk State University are presented. It was A. N. Terenin’s student, N. A. Prilezhaeva, who pioneered the Russian photochemistry and fostered the developmen...
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Article
Spectral-Luminescent Properties and Photolysis of Some Phenol Derivatives
The spectral-luminescent properties and photolysis of phenol and some of its derivatives have been considered experimentally and by methods of quantum chemistry. It has been shown that the substitution with a ...
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Article
Spectral-Luminescent Properties and Photolysis of Charged Forms of Bisphenol A
Spectral-luminescent properties and photolysis of charged forms (cation and anion) of bisphenol A are studied experimentally and by methods of quantum chemistry. The calculations and the experiment demonstrate...
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Article
Electronic Spectra and Photolysis of Bisphenol A in Water
A quantum chemical study of the spectral and luminescent properties of the BPA + 2H2O complex was carried out. Calculations were performed by the semi-empirical method of intermediate neglect of differential over...
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Article
V. G. Plotnikov: Life in Science
The role of Professor V. G. Plotnikov in the development of the theoretical molecular photonics is discussed. A review is given of the principal results and the list of his publications covering the creation o...
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Article
Spectral-Luminescent Properties of Charged Forms of Some Substituted Benzaldehydes
The spectral-luminescent properties of the charged (anionic and cationic) forms of three biologically active substituted benzaldehydes, namely, o-anisaldehyde (2-methoxybenzaldehyde), syringaldehyde (3,5-dimethox...
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Article
Quantum-Chemical Study of the Influence of Substitution on Anti-Virus Activity of Hydroxyl Substituted Benzaldehydes and Related Compounds
Using the wave functions of the quantum chemical INDO method, the molecular electrostatic potential (MESP) of hydroxyl substituted benzaldehydes and related compounds exhibiting the ability to inhibit the repr...
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Article
Spectral-Luminescent Properties of Some Benzaldehyde Derivatives
Substituted benzaldehydes, which are widespread in nature, exhibit antibacterial, anti-inflammatory, antiviral, and anticarcinogenic activity with low toxicity, which makes them promising in medicine. The resu...
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Article
Specific features of photoprocesses in the dye merocyanine 540 and its complexes with water
The electronic structure and spectral-luminescence properties of the dye merocyanine 540 have been calculated within the framework of the semiempirical quantum-chemical method of partial neglect of differentia...
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Article
Identification of Products of Merocyanine 540 Decay by Photolysis and Thermolysis
Possible products of merocyanine 540 decay are studied using quantum-chemical calculations. The results of calculation are compared with experimental investigations of the spectral-luminescent properties, and ...
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Article
Features of the electronic structure and photophysical processes in asymmetric and symmetric (dicyanomethylene)-pyran dyes
The electronic structure and photophysical processes in (dicyanomethylene)-pyran dyes, DCM and bis-DCM, have been studied by methods of quantum chemistry and optical spectroscopy. The spectral-luminescence and...
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Article
Infrared Spectroscopy of Hydrogen Bonds in Benzoic Acid Derivatives
We have measured the Fourier transform IR spectra of CCl4 solutions of benzoic acid and its biologically active derivatives. We investigated the proton-acceptor properties of the studied molecules theoretically b...
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Article
Spectroscopic and proton-acceptor properties of biologically active molecules of benzoic acid and its derivatives
We have measured the absorption, fluorescence, fluorescence excitation spectra, fluorescence quantum yields, and IR Fourier-transform spectra of aromatic acids in solutions. We have considered spectroscopic pa...
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Article
Quantum-chemical and ir spectroscopic analysis of aminophenol derivatives with antiviral activity
Bioactive carbonyl- and sulfonyl-derivatives of aminophenols were studied. The proton-acceptor abilities of the aminophenols were estimated using a molecular electrostatic potential method. IR Fourier spectra ...
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Article
A comparative study of the absorption spectra of o-aminophenols using different quantum-chemical methods
The electron-excited states of o-aminophenol and its derivatives are calculated using the INDO method with a special spectroscopic parametrization and the method based on the density functional theory (ADF code)....
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Article
Electronic structure and spectroscopic properties of anti-HIV active aminophenols
We have measured the absorption and fluorescence spectra and fluorescence quantum yields of sulphone-containing anti-HIV active o-aminophenol molecules in an inert solvent, hexane, and in a polar solvent, acetoni...
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Article
Electronic structure and spectral and luminescent properties of anti-HIV-active aminophenols
The method of intermediate neglect of differential overlap (INDO) with spectroscopic parameterization is used to calculate the electronic structure and the electronically excited states of substituted o-aminophen...
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Article
Quantum-chemical study of relation of spectral and luminescent properties of positively solvatochromic malononitrile-based merocyanine dyes with their structure
The electronic structure, the spectra, and the efficiency of photophysical processes of energy deactivation are calculated by a semiempirical method for three positively solvatochromic merocyanine dyes with di...
