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Deciphering the Photophysical Role of Conjugated Diyne in Butadiynyl Fluorophores: Synthesis, Photophysical and Theoretical Study

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Title Deciphering the Photophysical Role of Conjugated Diyne in Butadiynyl Fluorophores: Synthesis, Photophysical and Theoretical Study
 
Creator PATI, AK
MOHAPATRA, M
GHOSH, P
GHARPURE, SJ
MISHRA, AK
 
Subject STRUCTURE-PROPERTY RELATIONSHIPS
INTRAMOLECULAR CHARGE-TRANSFER
SOLVATOCHROMIC COMPARISON METHOD
DIACETYLENE LIQUID-CRYSTALS
ELECTRONIC SPECTRA
FLUORESCENCE-SPECTRA
CONVENIENT SYNTHESIS
MOLECULAR ROTORS
TERMINAL ALKYNES
PI-STAR
 
Description The present work focuses on the current interest in diyne bridged chromophores necessitating a clearer understanding of the photophysics of such molecules. The significance of the diyne moiety in the photophysics has been investigated by synthesizing simple substituted diphenyl butadiynyl derivatives following a quick and efficient microwave assisted Eglinton coupling of terminal alkynes. Emission of the fluorophores is observed from the usual locally excited (LE) state and intramolecular charge transfer (ICT) state. Separation of pure ICT emission from pure LE emission has been carried out by Gaussian/Lorentzian curve fitting. The vibronic coupling in the local transitions appears to be confined to the normal mode involving the C-C triple bond stretching of the diyne moiety. This implies that the LE transition involves the diyne moiety, a conclusion supported by quantum chemical calculations. The resolved ICT emission follows double linear dependence on E-T(30) solvent polarity scale. The important role of the diyne moiety in the photophysics of this class of molecules is clearly discernible in this study.
 
Publisher AMER CHEMICAL SOC
 
Date 2014-10-15T13:19:28Z
2014-10-15T13:19:28Z
2013
 
Type Article
 
Identifier JOURNAL OF PHYSICAL CHEMISTRY A, 117(30)6548-6560
http://dx.doi.org/10.1021/jp404809g
http://dspace.library.iitb.ac.in/jspui/handle/100/14987
 
Language en