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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
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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
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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
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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
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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
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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
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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
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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
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Source: Molecular physics. 2017. Vol. 115, № 17/18. P. 2218-2230
Type: статьи в журналах
Date: 2017
Description:
This mini-review presents recent advances in theory of electronic and spectral properties of hetero[8]circulenes used as promising fluorescent emitters for organic light-emitting diodes. Special atten
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Source: Chemical physics letters. 2016. Vol. 661. P. 48-52
Type: статьи в журналах
Date: 2016
Description:
Two recently synthesized copper(II) complexes with spacer-armed bispicolylamidrazone ligands have been theoretically studied at the density functional theory (DFT) level accounting for empirical dispe
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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
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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
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Source: RSC Advances. 2015. Vol. 5. P. 24299-24305
Type: статьи в журналах
Date: 2015
Description:
A series of alkali and alkaline-earth metal ion complexes with the tetraoxa[8]circulene sheet which possess single- and double-decker structure has been designed and studied by the DFT computational m
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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
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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
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