Experimental and theoretical studies of the spectroscopic properties of chalcone derivatives

Marek Pietrzak , Marek Józefowicz , Agnieszka Bajorek , Janina Heldt

Abstract

Newly synthesized, differently substituted chalcones (1,3-diaryl-2-propen-1-ones) have been studied using steady-state and time-resolved techniques combined with quantum-chemical modelling. To explore spectroscopic structure - property relationships the substituent (acceptor moiety) was chosen according to systematic variation in the Hammett parameter. It was shown that photophysical properties of the studied donor-acceptor (D-A) molecules can be predicted in terms of a simple model from the properties of individual chromophores (composite-model of decoupled moieties: donor (D) and acceptor (A)). The results of spectroscopic measurements also indicate that for investigated D-A fluorophores in medium-polar solvent, the initially populated, locally excited (LE) state (where the fundamental role plays donor moiety (D*-A)) reacts further to produce intramolecular charge transfer (ICT) state. Additionally, the experimental absorption (Mge) and fluorescence (Meg) transition dipole moments were calculated on the basis of spectroscopic data and compared with results of our quantum-chemical calculations. The absorption transition dipole moment was found to vary linearly with the Hammett substituent coefficient (σ).
Author Marek Pietrzak
Marek Pietrzak,,
-
, Marek Józefowicz IFD
Marek Józefowicz,,
- Institute of Experimental Physics
, Agnieszka Bajorek
Agnieszka Bajorek,,
-
, Janina Heldt IFD
Janina Heldt,,
- Institute of Experimental Physics
Other language title versions
Journal seriesJournal of Fluorescence, ISSN 1053-0509
Issue year2017
Vol27
No2
Pages537-549
Publication size in sheets0.6
Keywords in Englishdonor-acceptor system, intramolecular charge transfer, Chalcones, Azachalcones
DOIDOI:10.1007/s10895-016-1981-2
URL http://link.springer.com/content/pdf/10.1007%2Fs10895-016-1981-2.pdf
Languageen angielski
LicenseOther; published final; Uznanie Autorstwa (CC-BY); with publication
Score (nominal)25
ScoreMinisterial score = 20.0, 20-12-2017, ArticleFromJournal
Ministerial score (2013-2016) = 25.0, 20-12-2017, ArticleFromJournal
Publication indicators WoS Impact Factor: 2016 = 1.461 (2) - 2016=1.501 (5)
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