fulltext.study @t Gmail

Effect of solvent polarity on photophysical parameters of 3-aminoflavone

Paper ID Volume ID Publish Year Pages File Format Full-Text
27327 44016 2011 6 PDF Available
Title
Effect of solvent polarity on photophysical parameters of 3-aminoflavone
Abstract

Photophysical behavior of 3-amino flavone (3AF) in different media has been studied using steady state and time-resolved fluorescence spectroscopy in combination with DFT and TD DFT B3LYP/6-31G (d,p) calculations involving the ground and the excited state geometry optimization. Comparison of experimental solvatochromic shifts with the calculated energies in different solvents (PCM model) allows to conclude that the excited state of 3AF, corresponding to the π → π* (S0 → S1) transition, has a partial CT nature. The lifetime and quantum efficiency measurements in function of solvent polarity shown that in weakly polar solvents the radiationless rate constant is very high. On the basis of TD DFT calculations for singlet and triplet state distribution in different environments (PCM model) we hypothesize that in weakly polar solvents the intersystem crossing may be a prevailing relaxation process.

► Photophysical properties of 3-amino flavone (3AF) in different solvents. ► The ground and excited state geometry optimization of 3AF. ► The S0 → S1 (π → π*) transition has a partial CT nature. ► Hypothesis that in weakly polar media the ISC is a dominating relaxation path. ► The solvent effect included in calculations through the PCM model.

Keywords
3-Amino flavone; Fluorescence; DFT and TD DFT calculations; PCM model; Electron transfer; Lifetimes; CT states; Triplet states
First Page Preview
Effect of solvent polarity on photophysical parameters of 3-aminoflavone
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us
Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 224, Issue 1, 15 November 2011, Pages 62–67
Authors
, , , ,
Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us