Structural and ultrafast third-order nonlinearities of methyl and methoxy substituted anthracene chalcones: Z-scan, four-wave mixing, and DFT approaches.

Autor: Maidur SR; Department of Physics, Kristu Jayanti College, Autonomous, Bengaluru 560077, Karnataka, India. Electronic address: newtonshiva92@gmail.com., Ekbote AN; Department of Physics, KLS's Gogte Institute of Technology, Udyambag, Belagavi 590010, Karnataka, India., Patil PS; Department of Physics, B.L.D.E. Association's S.B. Arts and K.C.P. Science College, Vijayapura 586103, Karnataka, India., Katturi NK; Department of Chemistry, Michigan State University, East Lansing, MI 48824, USA., Venugopal Rao S; School of Physics and ACRHEM (DIA-CoE), University of Hyderabad, Hyderabad 500046, Telangana, India., Wong QA; X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, Penang 11800, Malaysia., Quah CK; X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, Penang 11800, Malaysia.
Jazyk: angličtina
Zdroj: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2025 Jan 15; Vol. 325, pp. 125146. Date of Electronic Publication: 2024 Sep 15.
DOI: 10.1016/j.saa.2024.125146
Abstrakt: We report on the structural, thermal, linear, and ultrafast third-order nonlinear optical (NLO) properties of two novel anthracene chalcones: (2E)-1-(anthracen-9-yl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one (5ML2SANC) and (2E)-1-(9-anthryl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one (245TMANC). The chalcones were synthesized by Claisen-Schmidt condensation reaction, and the single crystals were grown by the solvent evaporation method. The molecular structure was confirmed by FTIR and NMR spectroscopy, while the crystal structure was determined using the single crystal XRD. Both crystals belong to centrosymmetric monoclinic crystal system with space group P2 1 /n. The Hirshfeld surface was analyzed to understand intermolecular interactions, and the band structures - including HOMO-LUMO levels, excited state energies, GCRDs and MEPs-were studied using DFT. The ultrafast third-order NLO properties were investigated by Z-scan and degenerate four-wave mixing (DFWM) techniques using Ti: Sapphire amplifier laser delivering ∼50 fs pulses at 800 nm (1 kHz, ∼4 mJ, 2 W). Two-photon absorption, positive nonlinear refraction, optical limiting and optical switching behaviors were observed by Z-scan measurements. The time-resolved DFWM show that the decay time of 5ML2SANC is ∼127 fs, while for 245TMANC it is ∼142 fs. The second hyperpolarizability (γ) measured by Z-scan, DFWM and the estimations from the DFT theory are found to be in good agreement (∼10 -34  esu). The ultrafast optical response, significant NLO properties and thermal stability of the synthesized chalcones demonstrate their potential suitability in optical limiting and switching applications.
Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2024 Elsevier B.V. All rights reserved.)
Databáze: MEDLINE
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