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http://hdl.handle.net/1942/38020
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DC Field | Value | Language |
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dc.contributor.author | Gladkov, L. L. | - |
dc.contributor.author | Klenitsky, D., V | - |
dc.contributor.author | Vershilovskaya, I. V. | - |
dc.contributor.author | MAES, Wouter | - |
dc.contributor.author | Kruk, M. M. | - |
dc.date.accessioned | 2022-09-08T11:53:03Z | - |
dc.date.available | 2022-09-08T11:53:03Z | - |
dc.date.issued | 2022 | - |
dc.date.submitted | 2022-08-17T08:54:07Z | - |
dc.identifier.citation | Journal of Applied Spectroscopy, 89 (3) , p. 426 -432 | - |
dc.identifier.uri | http://hdl.handle.net/1942/38020 | - |
dc.description.abstract | The aromaticity in the lowest triplet T-1-state of NH-tautomers of corrole free bases with different peripheral substitution architecture was investigated using quantum chemistry methods. It was established that the dominant pi-conjugation pathways differed for the NH-tautomers although the dominant pi-conjugation pathways in the ground singlet (S-0) and excited triplet (T-1) states for each of the two tautomers were the same. The degree of aromaticity of the macrocycle in the triplet T-1-state was found to decrease distinctly as compared to the ground S-0-state. It was shown that the macrocycle of the corrole free bases in the triplet T-1-state should be considered antiaromatic. Relationships of the degree of aromaticity with the macrocycle conformation and electronic effects of peripheral substituents were discussed. | - |
dc.description.sponsorship | The work was fi nancially supported by the Convergence 2025 State Program for Scientifi c Research of the Republic of Belarus [subprogram Interdisciplinary Research and New Emerging Technologies, Task 3.03.10 (NIR 2)]. | - |
dc.language.iso | en | - |
dc.publisher | SPRINGER | - |
dc.subject.other | free base corroles | - |
dc.subject.other | NH-tautomers | - |
dc.subject.other | triplet state | - |
dc.subject.other | pi-conjugation | - |
dc.subject.other | aromaticity | - |
dc.title | INVERSION OF AROMATICITY OF NH-TAUTOMERS OF FREE-BASE CORROLES IN THE LOWEST TRIPLET T-1-STATE | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 432 | - |
dc.identifier.issue | 3 | - |
dc.identifier.spage | 426 | - |
dc.identifier.volume | 89 | - |
local.format.pages | 7 | - |
local.bibliographicCitation.jcat | A1 | - |
dc.description.notes | Kruk, MM (corresponding author), Belarusian State Technol Univ, Minsk, BELARUS. | - |
dc.description.notes | llglad@tut.by; wouter.maes@uhasselt.be; m.kruk@belstu.by | - |
local.publisher.place | ONE NEW YORK PLAZA, SUITE 4600, NEW YORK, NY, UNITED STATES | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
dc.identifier.doi | 10.1007/s10812-022-01374-w | - |
dc.identifier.isi | 000832490100011 | - |
local.provider.type | wosris | - |
local.description.affiliation | [Gladkov, L. L.] Belarusian State Acad Commun, Minsk, BELARUS. | - |
local.description.affiliation | [Klenitsky, D., V; Vershilovskaya, I. V.; Kruk, M. M.] Belarusian State Technol Univ, Minsk, BELARUS. | - |
local.description.affiliation | [Maes, W.] Hasselt Univ, Inst Mat Res IMO IMOMEC, Diepenbeek, Belgium. | - |
local.uhasselt.international | yes | - |
item.fulltext | With Fulltext | - |
item.fullcitation | Gladkov, L. L.; Klenitsky, D., V; Vershilovskaya, I. V.; MAES, Wouter & Kruk, M. M. (2022) INVERSION OF AROMATICITY OF NH-TAUTOMERS OF FREE-BASE CORROLES IN THE LOWEST TRIPLET T-1-STATE. In: Journal of Applied Spectroscopy, 89 (3) , p. 426 -432. | - |
item.accessRights | Open Access | - |
item.validation | ecoom 2023 | - |
item.contributor | Gladkov, L. L. | - |
item.contributor | Klenitsky, D., V | - |
item.contributor | Vershilovskaya, I. V. | - |
item.contributor | MAES, Wouter | - |
item.contributor | Kruk, M. M. | - |
crisitem.journal.issn | 0021-9037 | - |
crisitem.journal.eissn | 1573-8647 | - |
Appears in Collections: | Research publications |
Files in This Item:
File | Description | Size | Format | |
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s10812-022-01374-w.pdf Restricted Access | Published version | 783.34 kB | Adobe PDF | View/Open Request a copy |
При тушении флуоресценции молекул порфирина энергетический интервал меньше 7800 см-1, поэтому при тушении флуоресценции засел.pdf | Peer-reviewed author version | 897.74 kB | Adobe PDF | View/Open |
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