Electronic structure, spectra and photophysical properties of N-triazinylderivatives of 1-aminopyrene. Semi-empirical theoretical study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21340%2F12%3A00191978" target="_blank" >RIV/68407700:21340/12:00191978 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.dyepig.2011.09.010" target="_blank" >http://dx.doi.org/10.1016/j.dyepig.2011.09.010</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.dyepig.2011.09.010" target="_blank" >10.1016/j.dyepig.2011.09.010</a>

Result language
angličtina
Original language name
Electronic structure, spectra and photophysical properties of N-triazinylderivatives of 1-aminopyrene. Semi-empirical theoretical study
Original language description
The geometry and excited state characteristics of five N-triazinyl derivatives of 1-aminopyrene were calculated using AM1, CNDO/S and ZINDO/S methods. The relationships among each charge-transfer-to-emitting state energy gap, solvent polarity and fluorescence quantum yield of the studied compounds are discussed.
Czech name
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Czech description
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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
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Project
<a href="/en/project/GAP208%2F10%2F0941" target="_blank" >GAP208/10/0941: Engineering of surface-modified optical processes in molecules and semiconductor quantum dots by plasmon resonances in metal nanoparticle assemblies.</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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