Experimental and Theoretical Studies of the Spectroscopic Properties of Chalcone Derivatives |
| |
Authors: | Marek Pietrzak Marek Józefowicz Agnieszka Bajorek Janina R. Heldt |
| |
Affiliation: | 1.Faculty of Chemical Technology and Engineering,UTP University of Science and Technology,Bydgoszcz,Poland;2.Institute of Experimental Physics,University of Gdańsk,Gdańsk,Poland |
| |
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 (M ge ) and fluorescence (M eg ) 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). |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|