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Vol. 35 No. 10 (2023): Vol 35 Issue 10, 2023

Copyright (c) 2023 G. PRABHU, R. REVATHI, N. NAGARAJAN, R. RENGANATHAN

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Spectroscopic and DFT Analysis of (Z)-3-(Anthracen-9-yl)-2-(naphthalen-1-yl)acrylonitrile Fluorophore

https://doi.org/10.14233/ajchem.2023.28276
G. PRABHU
School of Chemistry, Bharathidasan University, Tiruchirappalli-620024, India
https://orcid.org/0000-0002-2996-2751
R. REVATHI
Department of Chemistry, Mahendra Arts and Science College (Autonomous), Kalippatti, Namakkal-637501, India
https://orcid.org/0000-0003-1775-4485
N. NAGARAJAN
Department of Basic Engineering, Government Polytechnic College, Keezhapalur, Ariyalur-621707, India
https://orcid.org/0000-0002-8170-7854
R. RENGANATHAN
School of Chemistry, Bharathidasan University, Tiruchirappalli-620024, India
https://orcid.org/0000-0002-1253-3133

Corresponding Author(s) : N. NAGARAJAN

drnnrajan@gmail.com

Asian Journal of Chemistry, Vol. 35 No. 10 (2023): Vol 35 Issue 10, 2023

Abstract

Fluorophore molecule (Z)-3-(anthracen-9-yl)-2-(naphthalen-1-yl)acrylonitrile (ANCN) containing anthracene as donor (D), acrylonitrile as acceptor (A) and naphthalene as donor (D) has been synthesized and characterized. ANCN is crystallized in monoclinic crystal system with P21/c space group. The absorption spectra of the compounds are dominated by intramolecular charge transitions that arise from the anthracene core to the acceptor groups. The compounds display distinct dual and single emission behaviour in different solvent environments. The CIE colour chromaticity diagram shows that the emission of ANCN in dichloromethane solution is in blue region, while neat film in greenish blue and 1% ANCN doped with PMMA in bluish-green region. Frontier molecular orbitals of the compound show that the localization of HOMO can be visualized on the anthracene unit and the LUMO is localized on the acrylonitrile unit. Thus, there is an intramolecular charge transfer (ICT) from HOMO to LUMO.

Keywords

(Naphthalen-1-yl)acrylonitrile fluorophore Crystal structure Optical properties HOMO-LUMO DFT analysis
PRABHU, G., REVATHI, R., NAGARAJAN, N., & RENGANATHAN, R. (2023). Spectroscopic and DFT Analysis of (Z)-3-(Anthracen-9-yl)-2-(naphthalen-1-yl)acrylonitrile Fluorophore. Asian Journal of Chemistry, 35(10), 2445–2450. https://doi.org/10.14233/ajchem.2023.28276
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