Synthesis, photophysical and computational study of novel coumarin‐based organic dyes

Kumbar, Mahadev N. and Sannaikar, M. S. and Shaikh, Saba Kauser J. and Kamble, Atulkumar A. and Wari, Manjunath N. and Inamdar, Sanjeev R. and Qiao, Qiquan and Bhavya, N. R. and Mahendra, M. and Dasappa, Jagadeesh P. and Kamble, Ravindra R. and Mahendra (2018) Synthesis, photophysical and computational study of novel coumarin‐based organic dyes. Photochemistry and Photobiology, 94 (2). pp. 261-276. ISSN 1751-1097

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Official URL: https://doi.org/10.1111/php.12852

Abstract

A series of novel coumarin pyrazoline moieties combined with tetrazoles, 3‐(1‐phenyl‐4‐(1H‐tetrazol‐5‐yl)‐1H‐pyrazol‐3‐yl)‐2H‐chromen‐2‐one, 6‐chloro‐3‐(1‐phenyl‐4‐(1H‐tetrazol‐5‐yl)‐1H‐pyrazol‐3‐yl)‐2H‐chromen‐2‐one, 6‐bromo‐3‐(1‐phenyl‐4‐(1H‐tetrazol‐5‐yl)‐1H‐pyrazol‐3‐yl)‐2H‐chromen‐2‐one and 6‐bromo‐3‐(1‐(4‐bromophenyl)‐4‐(1H‐tetrazol‐5‐yl)‐1H pyrazol‐3‐yl)‐2H‐chromen‐2‐one7(a‐d), were designed and synthesized. Single crystal X‐ray diffraction and their interactions were studied by Hirshfeld surface analysis. Thermal stabilities and electrochemical properties of these compounds were examined from differential scanning calorimetry (DSC), thermogravimetric (TGA) and cyclic voltammetric (CV) studies. Their spectroscopic properties were analyzed in various alcohols and general solvents by UV–Vis absorption, fluorescence and time‐resolved spectroscopy. In addition, the ground and excited state electronic properties were investigated using density functional theory (DFT). The calculated highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and energy band gap (Eg) values have revealed the effect of substitution of halogens. The substitution has equally affected the ground and excited states of 7(a‐d) compounds. The solvatochromism on absorption, fluorescence spectra and fluorescence lifetimes of these compounds was investigated. All these results showed the chromen‐2‐one of pyrazoline tetrazole derivatives could play an important role in photonic and electronic devices.

Item Type: Article
Subjects: D Physical Science > Physics
Divisions: Department of > Physics
Depositing User: manjula User
Date Deposited: 11 Jul 2019 07:15
Last Modified: 11 Dec 2019 09:28
URI: http://eprints.uni-mysore.ac.in/id/eprint/5081

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