Staff View: The structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation

The structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation

This study focuses on the design of the new dye of donor-π-acceptor (D−π−A) system of methyl 4-((4-aminophenyl)ethynyl)benzoate (MAPEB) to highlight its structural-property relation through a combined experimental and quantum chemical calculation approaches for optical limiting applications. MAPEB w...

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Main Authors:	Zaini, Muhamad Fikri, Khairul, Wan Mohd., Arshad, Suhana, Abdullah, Mundzir, Zainuri, Dian Alwani, Rahamathullah, Rafizah, Rosli, Muhammad Izz, Abd. Aziz, Muhammad Safwan, Abdul Razak, Ibrahim
Format:	Article
Published:	Elsevier B.V. 2020
Subjects:	QC Physics
Online Access:	http://eprints.utm.my/id/eprint/93219/ http://dx.doi.org/10.1016/j.optmat.2020.110087
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spelling	my.utm.932192021-11-19T03:29:42Z http://eprints.utm.my/id/eprint/93219/ The structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation Zaini, Muhamad Fikri Khairul, Wan Mohd. Arshad, Suhana Abdullah, Mundzir Zainuri, Dian Alwani Rahamathullah, Rafizah Rosli, Muhammad Izz Abd. Aziz, Muhammad Safwan Abdul Razak, Ibrahim QC Physics This study focuses on the design of the new dye of donor-π-acceptor (D−π−A) system of methyl 4-((4-aminophenyl)ethynyl)benzoate (MAPEB) to highlight its structural-property relation through a combined experimental and quantum chemical calculation approaches for optical limiting applications. MAPEB was synthesized via aerobic condition palladium-catalysed Sonogashira cross-coupling reaction with good yield. This molecular structure was confirmed by single crystal X-ray crystallographic analysis and the crystal exhibits monoclinic non-centrosymmetric space group of Pc. The existence of intermolecular interactions was confirmed by Hirshfeld analysis, showing high contribution of C⋯H contact which suggested the high nonlinear optical response of the compound. The experimental spectroscopic data including Fourier Transform Infrared (FT-IR), 1H and 13C Nuclear Magnetic Resonance, electronic absorption spectra, HOMO-LUMO energy gap were compared with Density Functional Theory (DFT) at 6–311++G (d,p) basis set. The experimental results complement the theoretical findings in supporting anticipated electronic properties of the molecule. Additionally, the z-scan analysis unveils an excellent value of χ3 of MAPEB in the order of 10−6 esu which indicate good nonlinear optical material under 532 nm continuous wave laser. Low optical limiting action was measured at 110 kW/cm2 which is suitable for various continuous wave laser applications. These findings prove that MAPEB has the potential to be employed as NLO materials for photonic applications. Elsevier B.V. 2020-09 Article PeerReviewed Zaini, Muhamad Fikri and Khairul, Wan Mohd. and Arshad, Suhana and Abdullah, Mundzir and Zainuri, Dian Alwani and Rahamathullah, Rafizah and Rosli, Muhammad Izz and Abd. Aziz, Muhammad Safwan and Abdul Razak, Ibrahim (2020) The structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation. Optical Materials, 107 . ISSN 0925-3467 http://dx.doi.org/10.1016/j.optmat.2020.110087 DOI:10.1016/j.optmat.2020.110087
institution	Universiti Teknologi Malaysia
building	UTM Library
collection	Institutional Repository
continent	Asia
country	Malaysia
content_provider	Universiti Teknologi Malaysia
content_source	UTM Institutional Repository
url_provider	http://eprints.utm.my/
topic	QC Physics
spellingShingle	QC Physics Zaini, Muhamad Fikri Khairul, Wan Mohd. Arshad, Suhana Abdullah, Mundzir Zainuri, Dian Alwani Rahamathullah, Rafizah Rosli, Muhammad Izz Abd. Aziz, Muhammad Safwan Abdul Razak, Ibrahim The structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation
description	This study focuses on the design of the new dye of donor-π-acceptor (D−π−A) system of methyl 4-((4-aminophenyl)ethynyl)benzoate (MAPEB) to highlight its structural-property relation through a combined experimental and quantum chemical calculation approaches for optical limiting applications. MAPEB was synthesized via aerobic condition palladium-catalysed Sonogashira cross-coupling reaction with good yield. This molecular structure was confirmed by single crystal X-ray crystallographic analysis and the crystal exhibits monoclinic non-centrosymmetric space group of Pc. The existence of intermolecular interactions was confirmed by Hirshfeld analysis, showing high contribution of C⋯H contact which suggested the high nonlinear optical response of the compound. The experimental spectroscopic data including Fourier Transform Infrared (FT-IR), 1H and 13C Nuclear Magnetic Resonance, electronic absorption spectra, HOMO-LUMO energy gap were compared with Density Functional Theory (DFT) at 6–311++G (d,p) basis set. The experimental results complement the theoretical findings in supporting anticipated electronic properties of the molecule. Additionally, the z-scan analysis unveils an excellent value of χ3 of MAPEB in the order of 10−6 esu which indicate good nonlinear optical material under 532 nm continuous wave laser. Low optical limiting action was measured at 110 kW/cm2 which is suitable for various continuous wave laser applications. These findings prove that MAPEB has the potential to be employed as NLO materials for photonic applications.
format	Article
author	Zaini, Muhamad Fikri Khairul, Wan Mohd. Arshad, Suhana Abdullah, Mundzir Zainuri, Dian Alwani Rahamathullah, Rafizah Rosli, Muhammad Izz Abd. Aziz, Muhammad Safwan Abdul Razak, Ibrahim
author_facet	Zaini, Muhamad Fikri Khairul, Wan Mohd. Arshad, Suhana Abdullah, Mundzir Zainuri, Dian Alwani Rahamathullah, Rafizah Rosli, Muhammad Izz Abd. Aziz, Muhammad Safwan Abdul Razak, Ibrahim
author_sort	Zaini, Muhamad Fikri
title	The structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation
title_short	The structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation
title_full	The structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation
title_fullStr	The structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation
title_full_unstemmed	The structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation
title_sort	structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation
publisher	Elsevier B.V.
publishDate	2020
url	http://eprints.utm.my/id/eprint/93219/ http://dx.doi.org/10.1016/j.optmat.2020.110087
_version_	1717093437422960640
score	13.211869

The structure-property studies and mechanism of optical limiting action of methyl 4-((4-aminophenyl)ethynyl)benzoate crystal under continuous wave laser excitation

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