Theoretical study of the ground and excited states of 7-methyl guanine and 9-methyl guanine: comparison with experiment

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F06%3A00040683" target="_blank" >RIV/61388963:_____/06:00040683 - isvavai.cz</a>
Result on the web
—
DOI - Digital Object Identifier
—

Result language
angličtina
Original language name
Theoretical study of the ground and excited states of 7-methyl guanine and 9-methyl guanine: comparison with experiment
Original language description
The keto?enol tautomerization of 7-methyl-guanine and 9-methyl-guanine in the excited states (due to p - p* and n - p* transitions) was investigated using the time-dependent DFT (TDDFT) method. The state of the n - p* transition exhibits two minima whiththe second being intermediate between enol and keto tautomers. This structure, is observed in both species, which suggests that it cannot account alone for their different photophysical behavior.
Czech name
Teoretická studie základního excitovaného stavu 7-methyl guaninu and 9-methyl guaninu: srovnání s experimentem
Czech description
Keto enol tautomerizace 7-methyl-guaninu and 9-methyl-guaninu v excitovaných stavech (p - p* a n - p*) byla studována časově závislou DFT metodou (TDDFT). Byla nalezena dvě minima pro stav n - p*, přičemž druhé minimum je pravděpodobně meziproduktem meziketo a enol formou. Tato struktura byla pozorována pro oba konforméry, takže nemůže vysvětlovat jejich rozdílné fotofyzikální chování.

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
—

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2006
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)