Coumarin Push-Pull NLOphores with Red Emission: Solvatochromic and Theoretical Approach

A new class of red emitting extensively conjugated donor-π-acceptor type dyes bearing coumarin units are investigated for nonlinear optical properties. The photophysical behaviour and the relation between structure and properties of the coumarin “push–pull” derivatives were investigated based on sol...

Full description

Saved in:
Bibliographic Details
Published in:Journal of fluorescence 2016-05, Vol.26 (3), p.949-962
Main Authors: Lanke, Sandip K., Sekar, Nagaiyan
Format: Article
Language:English
Subjects:
Analytical Chemistry
Biochemistry
Biological and Medical Physics
Biomedical and Life Sciences
Biomedicine
Biophysics
Biotechnology
Original Article
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:A new class of red emitting extensively conjugated donor-π-acceptor type dyes bearing coumarin units are investigated for nonlinear optical properties. The photophysical behaviour and the relation between structure and properties of the coumarin “push–pull” derivatives were investigated based on solvatochromism and experimentally observed shifts in emission maxima. The electronic coupling for the electron transfer reaction for the coumarin dyes are calculated with the generalized Mulliken-Hush method. We evaluated non-linear optical (NLO) properties of coumarin dyes using both experimental solvent dependent shift method and computational method. All the investigated coumarin dyes are showing large value for first ( β ) and second hyperpolarizability (γ). Density functional theory [B3LYP/6-31G(d)] and time dependent density functional theory (TDDFT) computations have been employed to have more understanding of structural, molecular, electronic and photophysical parameters of the coumarin dyes.
ISSN:1053-0509
1573-4994
DOI:10.1007/s10895-016-1783-6