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http://hdl.handle.net/1942/40649
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DC Field | Value | Language |
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dc.contributor.author | Knyukshto, V. N. | - |
dc.contributor.author | Gladkov, L. L. | - |
dc.contributor.author | MAES, Wouter | - |
dc.contributor.author | Kruk, M. M. | - |
dc.date.accessioned | 2023-08-01T13:09:06Z | - |
dc.date.available | 2023-08-01T13:09:06Z | - |
dc.date.issued | 2023 | - |
dc.date.submitted | 2023-08-01T09:49:03Z | - |
dc.identifier.citation | Journal of Applied Spectroscopy, 90 (3) , p. 507 -514 | - |
dc.identifier.uri | http://hdl.handle.net/1942/40649 | - |
dc.description.abstract | The spectral and luminescent characteristics of a solution of 10-phenyl-5,15-di(4,6-dichloropyrimidinyl)-corrole at 77 K were studied. Effective NH-tautomerization was found to occur in the lower T-1 triplet state of the long-wavelength T1-tautomer, resulting in phosphorescence being emitted only from the short-wavelength T2-tautomer. A shift of the acid-base equilibrium and deprotonation of a certain fraction of the molecules were observed at 77 K. The fluorescence and phosphorescence spectra of the deprotonated form were identified. The energy gap & UDelta;E(S-1-T-1) = 5570 cm(-1) for the deprotonated form was found to be as large as that for the free bases. The molecular conformations of NH-tautomers for a series of corroles with various peripheral substitution architectures were optimized and their electronic absorption spectra and energy gap & UDelta;E(S-1-T-1) were calculated by the density functional theory method. An increase in the energy gap & UDelta;E(S-1-T-1) was established to be due to an increase in the energy mismatch & UDelta;E(LUMO-LUMO+1). The observed trend was common for all types of studied molecular systems, i.e., both NH-tautomers of the free base and the deprotonated form. It was proposed that such a trend is an inherent property of the contracted corrole macrocycle, which has an excess of electron density as compared to the porphine system. | - |
dc.description.sponsorship | The work was fi nancially supported by the State Program of Scientifi c Research of the Republic of Belarus Convergence 2025 [Subprogram Interdisciplinary Research and New Emerging Technologies, Task 3.03.10 (NIR 2)] and a Grant from the President of the Republic of Belarus for Science in 2023 (M. M. Kruk). | - |
dc.language.iso | en | - |
dc.publisher | SPRINGER | - |
dc.rights | 2023 Springer Science+Business Media, LLC | - |
dc.subject.other | corrole free base | - |
dc.subject.other | NH-tautomers | - |
dc.subject.other | deprotonated form | - |
dc.subject.other | luminescence | - |
dc.subject.other | molecular orbitals | - |
dc.title | Photoexcitation-Energy Deactivation in a Solution of 10-Phenyl-5,15-di-(4,6-Dichloropyrimidinyl)-Corrole at 77 K | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 514 | - |
dc.identifier.issue | 3 | - |
dc.identifier.spage | 507 | - |
dc.identifier.volume | 90 | - |
local.format.pages | 8 | - |
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/s10812-023-01560-4 | - |
dc.identifier.isi | 001015981900001 | - |
local.provider.type | wosris | - |
local.description.affiliation | [Knyukshto, V. N.] Natl Acad Sci Belarus, BI Stepanov Inst Phys, Minsk, BELARUS. | - |
local.description.affiliation | [Gladkov, L. L.] Belarusian State Acad Commun, Minsk, BELARUS. | - |
local.description.affiliation | [Maes, W.] Hasselt Univ, Inst Mat Res IMO IMOMEC, Diepenbeek, Belgium. | - |
local.description.affiliation | [Kruk, M. M.] Belarusian State Technol Univ, Minsk, BELARUS. | - |
local.uhasselt.international | yes | - |
item.fulltext | With Fulltext | - |
item.fullcitation | Knyukshto, V. N.; Gladkov, L. L.; MAES, Wouter & Kruk, M. M. (2023) Photoexcitation-Energy Deactivation in a Solution of 10-Phenyl-5,15-di-(4,6-Dichloropyrimidinyl)-Corrole at 77 K. In: Journal of Applied Spectroscopy, 90 (3) , p. 507 -514. | - |
item.accessRights | Embargoed Access | - |
item.contributor | Knyukshto, V. N. | - |
item.contributor | Gladkov, L. L. | - |
item.contributor | MAES, Wouter | - |
item.contributor | Kruk, M. M. | - |
item.embargoEndDate | 2024-07-31 | - |
crisitem.journal.issn | 0021-9037 | - |
crisitem.journal.eissn | 1573-8647 | - |
Appears in Collections: | Research publications |
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