Theoretical Study of the Exciplex Formation in an m-MTDATA–BPHEN OLED By N. O. Dubinets, I. D. Krysko, and A. Ya. Freidzon The formation of charge-transfer (CT) exciplexes in m-MTDATA–BPhen (4,4′,4»-tris[(3-methylphenyl)phenylamino]-triphenylamine)–bathophenanthroline) donor-acceptor pair is studied using density functional theory (DFT) and multireference quantum chemistry. It is shown that the lowest excited singlet S1 and one of the low-lying Читать больше проN. O. Dubinets, I. D. Krysko, and A. Ya. Freidzon, Theoretical Study of the Exciplex Formation in an m-MTDATA–BPHEN OLED, INEOS OPEN, 2023, 6 (3), 81–85[…]

Complexation of Methylthio and Methoxy Derivatives of Styryl Dyes with Cucurbit[6]uril By D. A. Ivanov, O. P. Kolesnikova, I. V. Kryukov, N. O. Dubinets, N. Kh. Petrov, N. A. Aleksandrova & S. P. Gromov The complexation of the styryl dyes 1-ethyl-4-{(E)-2-[4-(methylthio)phenyl]vinyl}pyridinium perchlorate (1) and 1-ethyl-4-[(E)-2-(4-methoxyphenyl)vinyl]pyridinium perchlorate (2) with cucurbit[6]uril (CB[6]) in aqueous solutions has been Читать больше проD. A. Ivanov, O. P. Kolesnikova, I. V. Kryukov, N. O. Dubinets, N. Kh. Petrov, N. A. Aleksandrova & S. P. Gromov, Complexation of Methylthio and Methoxy Derivatives of Styryl Dyes with Cucurbit[6]uril, High Energy Chemistry, 2023, 57, 410–415[…]

Supramolecular host−guest interactions of dibenzoylmethanatoboron difluoride with β-cyclodextrin By D.S. Ionov, G.A. Yurasik, I.V. Ionova, V.A. Sazhnikov, A.A. Safonov, Yu.N. Kononevich, M.V. Alfimov The complexation of dibenzoylmethanatoboron difluoride (DBMBF2) with β-cyclodextrin (β-CD) was studied in a water/acetone (99:1, v/v) mixture using electronic absorption, steady-state and time-resolved fluorescence spectroscopy as well as the time-resolved fluorescence anisotropy Читать больше проD.S. Ionov, G.A. Yurasik, I.V. Ionova, V.A. Sazhnikov, A.A. Safonov, Yu.N. Kononevich, M.V. Alfimov, Supramolecular host−guest interactions of dibenzoylmethanatoboron difluoride with β-cyclodextrin, Journal of Molecular Liquids, 2024, 409, 125518[…]

Methoxylated bis(pentafluorophenyl)boron-β-diketonates: Synthesis, Optical Properties and Hydrolytic Stability By Maxim V. Filippov, Yuriy N. Kononevich, Dmitry S. Ionov, Andrey A. Safonov, Anastasia I. Karnaeva, Viacheslav A. Sazhnikov, Mikhail V. Alfimov, Aziz M. Muzafarov A series of methoxylated bis(pentafluorophenyl)boron-β-diketonates (dkB(C6F5)2) with intense emission has been synthesized and characterized by a variety of physicochemical methods. The photophysical Читать больше проMaxim V. Filippov, Yuriy N. Kononevich, Dmitry S. Ionov, Andrey A. Safonov, Anastasia I. Karnaeva, Viacheslav A. Sazhnikov, Mikhail V. Alfimov, Aziz M. Muzafarov, Methoxylated bis(pentafluorophenyl)boron-β-diketonates: Synthesis, Optical Properties and Hydrolytic Stability, ChemPhotoChem, 2024, 8(9), e202300317[…]

Study of the behavior of the 4-DASPI dye in samples of silicate hydrogel by fluorescence spectroscopy and quantum chemistry By Anna Medvedeva, Nikita Dubinets, Alexander Koshkin, Elena Rykova The behavior of the 4-[4-(dimethylamino)styryl]-1-methylpyridinium iodide (4-DASPI) dye in samples of silicate hydrogel obtained from tetrakis(2-hydroxyethyl) orthosilicate with the dye added at the synthesis stage or adsorbed on Читать больше проAnna Medvedeva, Nikita Dubinets, Alexander Koshkin, Elena Rykova, Study of the behavior of the 4-DASPI dye in samples of silicate hydrogel by fluorescence spectroscopy and quantum chemistry, Journal of Molecular Liquids 2024, 393, 123651[…]

Structure and properties of naphthalene-diimide N-functionalized with stilbene By Andrey Yu. Sosorev, Igor I. Ponomarev, Dmitry I. Dominskiy, Konstantin A. Lyssenko, Olga D. Parashchuk, Vasily A. Trukhanov, Vladislav G. Konstantinov, Nikita O. Dubinets and Dmitry Yu. Paraschuk Derivatives of naphthalene-diimide (NDI) are among the most studied and popular organic semiconductors showing n-type conductivity. However, the structure Читать больше проAndrey Yu. Sosorev, Igor I. Ponomarev, Dmitry I. Dominskiy, Konstantin A. Lyssenko, Olga D. Parashchuk, Vasily A. Trukhanov, Vladislav G. Konstantinov, Nikita O. Dubinets and Dmitry Yu. Paraschuk, Structure and properties of naphthalene-diimide N-functionalized with stilbene, Phys. Chem. Chem. Phys., 2023,25, 19562-19575[…]

Crystal Structure of Supramolecular Naphthalene Dimer Complex within β-Cyclodextrin Dimer Emitting Excimer Fluorescence: Molecular-Dynamic Simulation and Quantum Chemical Calculations By V. G. Avakyan and S. V. Titov The method of molecular dynamics is used to simulate the crystal structure of a supramolecular host–guest system consisting of a β-cyclodextrin dimer (host) and a stacking naphthalene dimer (guest), Читать больше проV. G. Avakyan and S. V. Titov, Crystal Structure of Supramolecular Naphthalene Dimer Complex within β-Cyclodextrin Dimer Emitting Excimer Fluorescence: Molecular-Dynamic Simulation and Quantum Chemical Calculations, Crystallography Reports, 2023, Vol. 68, No. 7, pp. 85–94.[…]

Spectral Properties of Functional Distyryl Derivatives of BODIPY By A. A. Pakhomov, A. V. Efremova, M. A. Maksimova, Yu. N. Kononevich, D. S. Ionov, N. O. Dubinets, V. I. Martynov, A. M. Muzafarov, and M. V. Alfimov The photophysical properties of functional distyryl derivatives of dipyrrometheneboron difluoride (BODIPY) in various solvents have been studied. It was Читать больше проA. A. Pakhomov, A. V. Efremova, M. A. Maksimova, Yu. N. Kononevich, D. S. Ionov, N. O. Dubinets, V. I. Martynov, A. M. Muzafarov, and M. V. Alfimov, Spectral Properties of Functional Distyryl Derivatives of BODIPY, High Energy Chemistry, 2023, Vol. 57, No. 3, pp. 192–199.[…]

NIR-I Fluorescent Probes Based on Distyryl-BODIPYs with Two-Photon Excitation in NIR-II Window By Alexey A. Pakhomov, Anna V. Efremova, Yuriy N. Kononevich, Dmitriy S. Ionov, Margarita A. Maksimova, Alexander D. Volodin, Alexander A. Korlyukov, Nikita O. Dubinets, Vladimir I. Martynov, Anatoly A. Ivanov, and Aziz M. Muzafarov Fluorescent dyes which exhibit emission/excitation in the second near-infrared Читать больше проAlexey A. Pakhomov, Anna V. Efremova, Yuriy N. Kononevich, Dmitriy S. Ionov, Margarita A. Maksimova, Alexander D. Volodin, Alexander A. Korlyukov, Nikita O. Dubinets, Vladimir I. Martynov, Anatoly A. Ivanov, and Aziz M. Muzafarov, NIR-I Fluorescent Probes Based on Distyryl-BODIPYs with Two-Photon Excitation in NIR-II Window, ChemPhotoChem 2023, 7, e202200324[…]

Novel low-bandgap donor–acceptor thiophene-phenylene co-oligomers for light-emitting semiconductor devices By Lucia Feriancov´a, Dmitry O. Balakirev, Roman S. Fedorenko, Alexey V. Kuevda,Vasiliy A. Trukhanov, Eugenia A. Svidchenko, Nikolay M. Surin, Svetlana M. Peregudova, Petr V. Dmitryakov, Nikita O. Dubinets, Yuriy V. Fedorov,Martin Putala, Sergey A. Ponomarenko, Dmitry Yu. Paraschuk, Yuriy N. Luponosov Thiophene-phenylene co-oligomers (TPCOs) have shown Читать больше проLucia Feriancov´a, Dmitry O. Balakirev, Roman S. Fedorenko, Alexey V. Kuevda,Vasiliy A. Trukhanov, Eugenia A. Svidchenko, Nikolay M. Surin, Svetlana M. Peregudova, Petr V. Dmitryakov, Nikita O. Dubinets, Yuriy V. Fedorov,Martin Putala, Sergey A. Ponomarenko, Dmitry Yu. Paraschuk, Yuriy N. Luponosov, Novel low-bandgap donor–acceptor thiophene-phenylene co-oligomers for light-emitting semiconductor devices, Dyes and Pigments 2023, 215, 111256[…]