Электронная библиотека (репозиторий) Томского государственного университета
Baryshnikov, Gleb V. | Valiev, Rashid R.

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Add   Odd-number cyclo[n]carbons sustaining alternating aromaticity
Authors: Baryshnikov, Gleb V. | Valiev, Rashid R. | Valiulina, Lenara I. | Kurtsevich, Alexandr E. | Kurtén, Theo | Sundholm, Dage | Pittelkow, Michael | Zhang, Jinglai | Ågren, Hans
Source: The Journal of Physical Chemistry A. 2022. Vol. 126, № 16. P. 2445-2452
Type: статьи в журналах
Date: 2022
Description: Cyclo[n]carbons (n = 5, 7, 9,..., 29) composed from an odd number of carbon atoms are studied computationally at density functional theory (DFT) and ab initio complete active space self-consistent fie ... More
Add   A hybrid molecular sensitizer for triplet fusion upconversion
Authors: Wang, Xinyu | Wang, Xing | Baryshnikov, Gleb V. | Valiev, Rashid R. | Fan, Rongwei | Lu, Songtao | Ågren, Hans | Chen, Guanying
Source: Chemical engineering journal. 2021. Vol. 426. P. 131282 (1-8)
Type: статьи в журналах
Date: 2021
Description: Triplet fusion upconversion is useful for a broad spectrum of applications ranging from solar cells, photoredox catalysis, to biophotonics applications, especially in the near-infrared (NIR,>700 nm) r ... More
Add   Dianthracenylazatrioxa[8]circulene: synthesis, characterization and application in OLEDs
Authors: Pedersen, Stephan K. | Pedersen, Viktor B. R. | Kamounah, Fadhil S. | Broløs, Line M. | Baryshnikov, Gleb V. | Valiev, Rashid R. | Ivaniuk, Khrystyna | Stakhira, Pavlo | Minaev, Boris F. | Karaush-Karmazin, Nataliya N. | Ågren, Hans | Pittelkow, Michael
Source: Chemistry - a European journal. 2021. Vol. 27, № 45. P. 11609-11617
Type: статьи в журналах
Date: 2021
Description: A soluble and green-blue fluorescent -extended azatrioxa[8]circulene was synthesized by oxidative condensation of a 3,6-dihydroxycarbazole and 1,4-anthraquinone utilizing benzofuran scaffolding. This ... More
Add   Less is more: on the effect of benzannulation on the solid-state emission of difluoroborates
Authors: Knysh, Iryna | Kozakiewicz-Piekarz, Anna | Wojtczak, Andrzej | Plażuk, Damian | Baryshnikov, Gleb V. | Valiev, Rashid R. | Nasibullin, Rinat T. | Ågren, Hans | Jacquemin, Denis | Ośmiałowski, Borys | Zaleśny, Robert
Source: Journal of materials chemistry C. 2021. Vol. 9, № 44. P. 15820-15830
Type: статьи в журналах
Date: 2021
Description: We investigate the emission properties of four organic dyes containing a strong electron-donating N(CH3)2 group and an NBF2O-bearing heterocyclic moiety acting as the electron-accepting group. The fou ... More
Add   Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene family
Authors: Valiev, Rashid R. | Cherepanov, Victor N. | Karaush-Karmazin, Nataliya N. | Minaeva, Valentina A. | Minaev, Boris F. | Ågren, Hans | Baryshnikov, Gleb V.
Source: Physical chemistry chemical physics. 2019. Vol. 21, № 18. P. 9246-9254
Type: статьи в журналах
Date: 2019
Description: The electronic structure, absorption and emission spectra, aromaticity and photophysical behavior of the recently synthesized tetrasilatetrathia[8]circulene and tetragermatetrathia[8]circulene compoun ... More
Add   Impact of heteroatoms (S, Se, and Te) on the aromaticity of heterocirculenes
Authors: Baryshnikov, Gleb V. | Valiulina, Lenara I. | Valiev, Rashid R. | Ågren, Hans | Minaev, Boris F. | Karaush-Karmazin, Nataliya N.
Source: New journal of chemistry. 2019. Vol. 43, № 30. P. 12178-12190
Type: статьи в журналах
Date: 2019
Description: A series of thia[7]circulenes and novel Se-, Te-, S/Te-, and Se/Te-substituted [8]circulenes have been studied by calculations of nucleus-independent chemical shift indices and gauge including magneti ... More
Add   The blue vibronically resolved electroluminescence of azatrioxa[8]circulene
Authors: Gadirov, Ruslan M. | Degtyarenko, Konstantin M. | Grigoryev, Denis V. | Nasubullin, Rinat T. | Baryshnikov, Gleb V. | Minaev, Boris F. | Pedersen, Stephan K. | Pittelkow, Michael | Valiev, Rashid R.
Source: Chemical physics letters. 2019. Vol. 732. P. 136667 (1-5)
Type: статьи в журналах
Date: 2019
Description: Organic Light Emitting Dioides (OLED)devices were fabricated with blue emission based on azatrioxa[8]circulene and 4,4-N,N′-Dicarbazolyl-1,1′-biphenyl (CBP) with maximum brightness of 840 kd/m2 at 12  ... More
Add   A computational study of aromaticity and photophysical properties of unsymmetrical azatrioxa[8]circulenes
Authors: Valiev, Rashid R. | Minaev, Boris F. | Ågren, Hans | Baryshnikov, Gleb V.
Source: New journal of chemistry. 2017. Vol. 41, № 7. P. 2717-2723
Type: статьи в журналах
Date: 2017
Description: Owing to their potential use in organic light-emitting diodes and field-effect transistors we present a theoretical study of a series of unsymmetrical azatrioxa[8]circulenes in order to explain the im ... More
Add   Aromaticity of the doubly charged [8]circulenes
Authors: Baryshnikov, Gleb V. | Karaush, Nataliya N. | Sundholm, Dage | Minaev, Boris F. | Valiev, Rashid R.
Source: Physical chemistry chemical physics. 2016. Vol. 18, № 13. P. 8980-8992
Type: статьи в журналах
Date: 2016
Description: Magnetically induced current densities and current pathways have been calculated for a series of fully annelated dicationic and dianionic tetraphenylenes, which are also named [8]circulenes. The gauge ... More
Add   Benzoannelated aza-, oxa- and azaoxa[8]circulenes as promising blue organic emitters
Authors: Baryshnikov, Gleb V. | Karaush, Nataliya N. | Minaeva, Valentina A. | Sinelnikov, Alexandr N. | Pedersen, Stephan K. | Pittelkow, Michael | Minaev, Boris F. | Agren, Hans | Valiev, Rashid R.
Source: Physical chemistry chemical physics. 2016. Vol. 18, № 40. P. 28040-28051
Type: статьи в журналах
Date: 2016
Description: In the present work, we studied the synergetic effect of benzoannelation and NH/O-substitution for enhancing the absorption intensity in a series of novel designed benzoannelated aza- and oxa[8]circul ... More
Add   Aromaticity of the completely annelated tetraphenylenes: NICS and GIMIC characterization
Authors: Baryshnikov, Gleb V. | Valiev, Rashid R. | Minaev, Boris F. | Karaush, Nataliya N.
Source: Journal of molecular modeling. 2015. Vol. 21, № 6. P. 136 (1-9)
Type: статьи в журналах
Date: 2015
Description: A series of heterocyclic and hydrocarbon [8]circulenes (also named completely annelated tetraphenylenes) were studied by the NICS and GIMIC methods in order to describe their aromatic properties from ... More
Add   DFT simulation of the heteroannelated octatetraenes vibronic spectra with the Franck-Condon and Herzberg-Teller approaches including Duschinsky effect
Authors: Karaush, Nataliya N. | Baryshnikov, Gleb V. | Minaev, Boris F. | Agren, Hans | Valiev, Rashid R.
Source: Chemical physics. 2015. Vol. 459. P. 65-71
Type: статьи в журналах
Date: 2015
Description: Calculations of vibronic structure in the electronic absorption spectra are carried out for the series of heteroannelated octatetraenes on the basis of density functional theory method. Both Franck–Co ... More
Add   Aromaticity of the planar hetero[8]circulenes and their doubly charged ions: NICS and GIMIC characterization
Authors: Baryshnikov, Gleb V. | Karaush, Nataliya N. | Minaev, Boris F. | Valiev, Rashid R.
Source: Physical chemistry chemical physics. 2014. Vol. 16. P. 15367-15374
Type: статьи в журналах
Date: 2014
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