Počet záznamů: 1
Effect of substituents on the excited-state dynamics of the modified DNA bases 2,4-diaminopyrimidine and 2,6-diaminopurine
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SYSNO ASEP 0351245 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Effect of substituents on the excited-state dynamics of the modified DNA bases 2,4-diaminopyrimidine and 2,6-diaminopurine Tvůrce(i) Gengeliczki, Z. (US)
Callahan, M. P. (US)
Svadlenak, N. (US)
Pongor, C. I. (HU)
Sztáray, B. (HU)
Meerts, L. (NL)
Nachtigallová, Dana (UOCHB-X) RID, ORCID
Hobza, Pavel (UOCHB-X) RID, ORCID
Barbatti, M. (AT)
Lischka, Hans (UOCHB-X)
Vries de, M. S. (US)Celkový počet autorů 11 Zdroj.dok. Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 12, č. 20 (2010), s. 5375-5388Poč.str. 14 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova excited-state lifetime ; IR/UV double-resonant spectroscopy ; multi-reference ab initio methods ; modified DNA bases Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP LC512 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000277689500020 DOI 10.1039/b917852j Anotace To explore the excited state dynamics of pyrimidine derivatives, we performed a combined experimental and theoretical study. We present resonant two-photon ionization and IR-UV double resonance spectra of 2,4-diaminopyrimidine and 2,6-diaminopurine. For 2,4-diaminopyrimidine, we observed only the diamino tautomer with an excited state lifetime bracketed between 10 ps and 1 ns. For 2,6-diaminopurine, we observed two tautomers with ns excited state lifetimes. We investigated the nature of the excited state of 2,4-diaminopyrimidine by means of multi-reference ab initio methods. The calculations of stationary points in the ground and excited states, minima on the S0/S1 crossing seam and connecting reaction paths show that several paths with negligible barriers exist, allowing ultrafast radiationless deactivation if excited at energies slightly higher than the band origin. The sub-nanosecond lifetime found experimentally is in good agreement with this finding. Pracoviště Ústav organické chemie a biochemie Kontakt asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Rok sběru 2011
Počet záznamů: 1