Search Results - "BURGANOV, Timur I"

Computationally assisted vibrational spectroscopy of nucleic acid bases. 2. Thymine by Katsyuba, Sergey A., Burganov, Timur I.

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Is There a Simple Way to Reliable Simulations of Infrared Spectra of Organic Compounds? by Katsyuba, Sergey A, Zvereva, Elena E, Burganov, Timur I

“…To assess the ability of the quantum-chemical computations to reproduce the experimental relative intensities in the infrared (IR) spectra of both the gas- and…”
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Large nonlinear optical activity of chromophores with divinylquinoxaline conjugated π-bridge by Kalinin, Alexey A., Sharipova, Sirina M., Burganov, Timur I., Levitskaya, Alina I., Fominykh, Olga D., Vakhonina, Tatyana A., Ivanova, Nataliya V., Khamatgalimov, Ayrat R., Katsyuba, Sergey A., Balakina, Marina Yu

“…[Display omitted] •Synthesis of D-π-A chromophores with quinoxaline core in the π-bridge.•High thermal stability and first hyperpolarizability.•High values of…”
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Supramolecular Organization of Solid Azobenzene Chromophore Disperse Orange 3, Its Chloroform Solutions, and PMMA-Based Films by Burganov, Timur I, Katsyuba, Sergey A, Vakhonina, Tatiana A, Sharipova, Anastasiya V, Fominykh, Olga D, Balakina, Marina Yu

“…Quantum chemical modeling in combination with vibrational and electronic absorption spectroscopy has delivered detailed information about supramolecular…”
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2,3-(Dibenzimidazol-2-yl)quinoxalines: Unexpected Dynamical Effect on Steady-State Electronic Absorption Spectra by Burganov, Timur I, Monari, Antonio, Katsyuba, Sergey A, Mamedov, Vakhid A, Zhukova, Nataliya A, Assfeld, Xavier

“…We report on the electronic absorption spectra, conformational behavior, and intra- and intermolecular hydrogen bonds of 2,3-(dibenzimidazol-2-yl)-quinoxaline…”
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To what extent are the photophysical properties of quinoxaline- and quinoxalinone-based chromophores predictable? by Burganov, Timur I., Katsyuba, Sergey A., Islamova, Liliya N., Fazleeva, Guzyal M., Sharipova, Sirina M., Kalinin, Alexey A., Monari, Antonio, Assfeld, Xavier

“…A series of chromophores containing quinoxaline or quinoxalinone electron-acceptor (A) and dialkylaminostyryl electron-donor (D) units linked by π electronic…”
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Features of molecular structures of some IPR isomers of C96 fullerene by Khamatgalimov, Ayrat R., Gerasimova, Tatiana P., Burganov, Timur I., Kovalenko, Valeri I.

“…A substructural approach has been applied to study the peculiarities of molecular structures for selected isomers of fullerene C 96 obtained previously as…”
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Fullerenes C100 and C108: new substructures of higher fullerenes by Khamatgalimov, Ayrat R., Gerasimova, Tatiana P., Burganov, Timur I., Kovalenko, Valeri I.

“…Based on our approach of theoretical modeling of the fullerene molecule electronic structures, an analysis of the molecular structures of isolated pentagon…”
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Characterization of Conjugation Effects in the Series of Quinoxaline-2-ones by Means of Vibrational Raman Spectroscopy by Burganov, Timur I, Katsyuba, Sergey A, Islamova, Liliya N, Fazleeva, Guzel M, Sharipova, Sirina M, Kalinin, Alexey A, Dobrynin, Alexey B, Monari, Antonio, Assfeld, Xavier

“…A broad series of quinoxalinone-based π-conjugated donor–acceptor fluoro- and NLO-phores is characterized by means of Raman spectroscopy and single-crystal…”
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Conjugation in and Optical Properties of 1‑R‑1,2-Diphospholes and 1‑R‑Phospholes by Katsyuba, Sergey A, Burganov, Timur I, Zvereva, Elena E, Zagidullin, Almaz A, Miluykov, Vasily A, Lönnecke, Peter, Hey-Hawkins, Evamarie, Sinyashin, Oleg G

“…The strength of conjugation between the diene moieties of 1-R-1,2-diphospholes and 1-R-phospholes and exocyclic phenyl groups of these P-heteroles has been…”
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Nonlinear optical activity of push–pull indolizine-based chromophores with various acceptor moieties by Kalinin, Alexey A., Fazleeva, Guzel M., Burganov, Timur I., Islamova, Liliya N., Levitskaya, Alina I., Dudkina, Yulia B., Shaikhutdinova, Gulnara R., Yusupova, Gulshat G., Smirnov, Maxim A., Vakhonina, Tatyana A., Ivanova, Nataliya V., Khamatgalimov, Ayrat R., Katsyuba, Sergey A., Budnikova, Yulia H., Nizameev, Irek R., Balakina, Marina Yu

“…[Display omitted] •Synthesis of indolizine-based chromophores with various acceptors are presented.•Photophysical and electrochemical properties are…”
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A fresh look at participation of phosphorus atom in conjugation by Katsyuba, Sergey A., Burganov, Timur I.

“…The strength of conjugation between the lone pair on phosphorus atom and aryl, alkenyl and styryl moieties of several phosphines has been quantitatively…”
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Application of Time-Dependent Density Functional Theory and Optical Spectroscopy toward the Rational Design of Novel 3,4,5-Triaryl-1-R-1,2-diphospholes by Zvereva, Elena E, Grimme, Stefan, Katsyuba, Sergey A, Burganov, Timur I, Zagidullin, Almaz A, Milyukov, Vasily A, Sinyashin, Oleg G

“…Twenty 3,4,5-triaryl-1-R-1,2-diphospholes were studied within the framework of density functional theory (DFT) and experimentally by UV/vis spectroscopy to…”
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D-π-A'-π-A chromophores with quinoxaline core in the π-electron bridge and charged heterocyclic acceptor moiety: Synthesis, DFT calculations, photophysical and electro-chemical properties by Kalinin, Alexey A., Sharipova, Sirina M., Levitskaya, Alina I., Dudkina, Yulia B., Burganov, Timur I., Fominykh, Olga D., Katsyuba, Sergey A., Budnikova, Yulia H., Balakina, Marina Yu

“…[Display omitted] •D-π-Aʾ-π-A chromophores with quinoxaline core and charged heterocyclic acceptor.•Significant solvatochromic shift.•Small HOMO-LUMO energy…”
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High thermally stable D–π–A chromophores with quinoxaline moieties in the conjugated bridge: Synthesis, DFT calculations and physical properties by Kalinin, Alexey A., Sharipova, Sirina M., Burganov, Timur I., Levitskaya, Alina I., Dudkina, Yulia B., Khamatgalimov, Ayrat R., Katsyuba, Sergey A., Budnikova, Yulia H., Balakina, Marina Yu

“…Four chromophores belonging to a new class of push-pull chromophores with divinylphenylquinoxaline moieties have been designed and synthesized. The…”
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Features of molecular structures of some IPR isomers of C.sub.96 fullerene by Khamatgalimov, Ayrat R, Gerasimova, Tatiana P, Burganov, Timur I, Kovalenko, Valeri I

“…A substructural approach has been applied to study the peculiarities of molecular structures for selected isomers of fullerene C.sub.96 obtained previously as…”
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Push–pull isomeric chromophores with vinyl- and divinylquinoxaline-2-one units as π-electron bridge: Synthesis, photophysical, thermal and electro-chemical properties by Kalinin, Alexey A., Sharipova, Sirina M., Burganov, Timur I., Dudkina, Yulia B., Khamatgalimov, Ayrat R., Katsyuba, Sergey A., Budnikova, Yulia H., Balakina, Marina Yu

“…A method of synthesis of a new class of push-pull chromophores with vinylquinoxalinone conjugated bridges has been proposed; two isomeric pairs of chromophores…”
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The effect of stacking arrangement on the conjugation in azochromophores revealed by combination of Raman spectroscopy and DFT calculations by Fominykh, Olga D., Balakina, Marina Yu, Burganov, Timur I., Katsyuba, Sergey A.

“…[Display omitted] •The strength of conjugation within nonlinear-optical azochromophores is quantified.•Raman spectroscopic markers of various stacked dimers of…”
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Indolizine-based chromophores with octatetraene π-bridge and tricyanofurane acceptor: Synthesis, photophysical, electrochemical and electro-optic properties by Kalinin, Alexey A., Fazleeva, Guzel M., Burganov, Timur I., Islamova, Liliya N., Dudkina, Yulia B., Kadyrova, Alfira A., Vakhonina, Tatyana A., Khamatgalimov, Ayrat R., Mukhtarov, Anvar S., Bazarov, Valeriy V., Katsyuba, Sergey A., Budnikova, Yulia H., Balakina, Marina Yu

“…[Display omitted] •Indolizine-based chromophores with octatetraene π-bridges have been synthesized.•Photophysical and electrochemical properties were…”
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One-pot synthesis of aryl-substituted 1,2,3-triphospholide anions by Bezkishko, Ilya A., Zagidullin, Almaz A., Petrov, Andrey V., Miluykov, Vasili A., Burganov, Timur I., Katsyuba, Sergey A., Sinyashin, Oleg G.

“…Reaction of white phosphorus P4, sodium metal and aryl-substituted acetylenes R-C≡C-R' (R = Ar, R' = Ar, H) and diacetylenes Ph-C≡C-(C6H4)n-C≡C-Ph (n = 0, 1)…”
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