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

Zainuri, Dian Alwani and Abdullah, Mundzir and Zaini, Muhamad Fikri and Bakhtiar, Hazri and Arshad, Suhana and Abdul Razak, Ibrahim (2021) Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores. PLoS ONE, 16 (9). pp. 1-29. ISSN 1932-6203


Official URL: http://dx.doi.org/10.1371/journal.pone.0257808


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.

Item Type:Article
Uncontrolled Keywords:anthracenyl chalcones (ACs), molecular electrostatic potential (MEP)
Subjects:Q Science > QC Physics
ID Code:97567
Deposited By: Widya Wahid
Deposited On:18 Oct 2022 10:28
Last Modified:18 Oct 2022 10:28

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