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Coumarin‐Rhodamine Hybrids – Synthesis, Photophysical Properties, NLO Properties and DFT Studies
Author(s) -
Shreykar Milind R.,
Sekar Nagaiyan
Publication year - 2017
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201601879
Subject(s) - solvatochromism , quantum yield , radiative transfer , rhodamine , chemistry , rhodamine b , fluorescence , analytical chemistry (journal) , photochemistry , materials science , molecule , optics , organic chemistry , physics , photocatalysis , catalysis
Solvatochromic and solvatofluoric behaviour of three coumarin rhodamine hybrid dyes (Cou‐Rhod1, Cou‐Rhod2 and Cou‐Rhod3) have been studied in ten different solvents with varying polarity. The pH (1‐10) study was done to investigate the spirocyclic ring opening. All the dyes show charge transfer phenomenon in local as well as charge transfer excitation. The non‐linear optical properties of coumarin rhodamine hybrid dyes were studied using solvatochromic method (highest value of α CT for Cou‐Rhod1=2.44 X 10 −23 ; highest value of β CT for Cou‐Rhod2=0.14 X 10 −28 and the highest value of γ for Cou‐Rhod2=0.02 X 10 −34 ) and computational (highest value of α 0 for Cou‐Rhod3=9.89 X 10 −23 ; highest value of β 0 for Cou‐Rhod1=0.90 X 10 −28 and highest value of γ for Cou‐Rhod3=5.10 X 10 −34 ) approach. As the non‐radiative rate constant increases quantum yield of the dyes decreases. Correlation of calculated radiative lifetime (τ), radiative (K r ) and non‐radiative rate constant (K nr ) has been made to explain the quantum yield of dyes using Strickler‐Berg equation. The charge transfer behaviour, structural parameters and non‐linear optical properties of the dyes are well described by DFT and TD‐DFT calculations.