Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores.

The Ultraviolet-visible (UV-Vis) spectra indicate that anthracenyl chalcones (ACs) have high maximum wavelengths and good transparency windows for optical applications and are suitable for optoelectronic applications owing to their HOMO-LUMO energy gaps (2.93 and 2.76 eV). Different donor substituen...

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Autores principales:	Dian Alwani Zainuri, Mundzir Abdullah, Muhamad Fikri Zaini, Hazri Bakhtiar, Suhana Arshad, Ibrahim Abdul Razak
Formato:	article
Lenguaje:	EN
Publicado:	Public Library of Science (PLoS) 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/a5c500d1465346518232f626a81f00c6
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spelling	oai:doaj.org-article:a5c500d1465346518232f626a81f00c62021-12-02T20:14:04ZFused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores.1932-620310.1371/journal.pone.0257808https://doaj.org/article/a5c500d1465346518232f626a81f00c62021-01-01T00:00:00Zhttps://doi.org/10.1371/journal.pone.0257808https://doaj.org/toc/1932-6203The Ultraviolet-visible (UV-Vis) spectra indicate that anthracenyl chalcones (ACs) have high maximum wavelengths and good transparency windows for optical applications and are suitable for optoelectronic applications owing to their HOMO-LUMO energy gaps (2.93 and 2.76 eV). Different donor substituents on the AC affect their dipole moments and nonlinear optical (NLO) responses. The positive, negative, and neutral electrostatic potential regions of the molecules were identified using molecular electrostatic potential (MEP). The stability of the molecule on account of hyperconjugative interactions and accompanying charge delocalization was analyzed using natural bond orbital (NBO) analysis. Open and closed aperture Z-scans were performed using a continuous-wave frequency-doubled diode-pumped solid-state (DPSS) laser to measure the nonlinear absorption and nonlinear refractive index coefficients, respectively. The valley-to-peak profile of AC indicated a negative nonlinear refractive index coefficient. The obtained single crystals possess reverse saturation absorption due to excited-state absorption. The structural and nonlinear optical properties of the molecules have been discussed, along with the role of anthracene substitution for enhancing the nonlinear optical properties. The calculated third-order susceptibility value was 1.10 x10-4 esu at an intensity of 4.1 kW/cm2, higher than the reported values for related chalcone derivatives. The NLO response for both ACs offers excellent potential in optical switching and limiting applications.Dian Alwani ZainuriMundzir AbdullahMuhamad Fikri ZainiHazri BakhtiarSuhana ArshadIbrahim Abdul RazakPublic Library of Science (PLoS)articleMedicineRScienceQENPLoS ONE, Vol 16, Iss 9, p e0257808 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Dian Alwani Zainuri Mundzir Abdullah Muhamad Fikri Zaini Hazri Bakhtiar Suhana Arshad Ibrahim Abdul Razak Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores.
description	The Ultraviolet-visible (UV-Vis) spectra indicate that anthracenyl chalcones (ACs) have high maximum wavelengths and good transparency windows for optical applications and are suitable for optoelectronic applications owing to their HOMO-LUMO energy gaps (2.93 and 2.76 eV). Different donor substituents on the AC affect their dipole moments and nonlinear optical (NLO) responses. The positive, negative, and neutral electrostatic potential regions of the molecules were identified using molecular electrostatic potential (MEP). The stability of the molecule on account of hyperconjugative interactions and accompanying charge delocalization was analyzed using natural bond orbital (NBO) analysis. Open and closed aperture Z-scans were performed using a continuous-wave frequency-doubled diode-pumped solid-state (DPSS) laser to measure the nonlinear absorption and nonlinear refractive index coefficients, respectively. The valley-to-peak profile of AC indicated a negative nonlinear refractive index coefficient. The obtained single crystals possess reverse saturation absorption due to excited-state absorption. The structural and nonlinear optical properties of the molecules have been discussed, along with the role of anthracene substitution for enhancing the nonlinear optical properties. The calculated third-order susceptibility value was 1.10 x10-4 esu at an intensity of 4.1 kW/cm2, higher than the reported values for related chalcone derivatives. The NLO response for both ACs offers excellent potential in optical switching and limiting applications.
format	article
author	Dian Alwani Zainuri Mundzir Abdullah Muhamad Fikri Zaini Hazri Bakhtiar Suhana Arshad Ibrahim Abdul Razak
author_facet	Dian Alwani Zainuri Mundzir Abdullah Muhamad Fikri Zaini Hazri Bakhtiar Suhana Arshad Ibrahim Abdul Razak
author_sort	Dian Alwani Zainuri
title	Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores.
title_short	Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores.
title_full	Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores.
title_fullStr	Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores.
title_full_unstemmed	Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores.
title_sort	fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores.
publisher	Public Library of Science (PLoS)
publishDate	2021
url	https://doaj.org/article/a5c500d1465346518232f626a81f00c6
work_keys_str_mv	AT dianalwanizainuri fusedringeffectonopticalnonlinearityandstructurepropertyrelationshipofanthracenylchalconebasedpushpullchromophores AT mundzirabdullah fusedringeffectonopticalnonlinearityandstructurepropertyrelationshipofanthracenylchalconebasedpushpullchromophores AT muhamadfikrizaini fusedringeffectonopticalnonlinearityandstructurepropertyrelationshipofanthracenylchalconebasedpushpullchromophores AT hazribakhtiar fusedringeffectonopticalnonlinearityandstructurepropertyrelationshipofanthracenylchalconebasedpushpullchromophores AT suhanaarshad fusedringeffectonopticalnonlinearityandstructurepropertyrelationshipofanthracenylchalconebasedpushpullchromophores AT ibrahimabdulrazak fusedringeffectonopticalnonlinearityandstructurepropertyrelationshipofanthracenylchalconebasedpushpullchromophores
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Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores.

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