Synthesis, theoretical properties using DFT method, and nonlinear optical properties of 4-methyl umbelliferone derivative

被引：0
作者：
Adil A. [1 ]
Hassan Q.M.A. [2 ]
Alsalim T.A. [1 ]
Sultan H.A. [2 ]
Al‑Asadi R.H. [1 ]
Emshary C.A. [2 ]
机构：
[1] Department of Chemistry, College of Education for Pure Sciences, University of Basrah, Basrah
[2] Department of Physics, College of Education for Pure Sciences, University of Basrah, Basrah
来源：
Optik | 2023年 / 290卷
关键词：
All-optical switching; Coumarin derivative; DPs; Z-scan;
D O I：
10.1016/j.ijleo.2023.171320
中图分类号：
学科分类号：
摘要：
4-methyl umbelliferone compound is synthesized from resorcinol with ethyl acetoacetate under ultrasound irradiation as an assistant of reaction. The coumarin derivative, COM-ester compound, is synthesized from the 4-methyl umbelliferone with chloroethyl acetate also using ultrasound irradiation. The COM-ester compound is characterized via spectroscopic, FTIR and 1H NMR methods. The geometrical optimization and thermodynamic characterization of the COM-ester compound are theoretically investigated via DFT. To determine the HOMO, LUMO, Mullikan atom charges and electronic spectrum of the investigated COM-ester compound, the hybrid functional B3LYP and CAM- B3LYP procedures are applied. Nonlinear optical (NLO) properties of the COM-ester compound are studied via the diffraction patterns (DPs) and Z-scan techniques where it's nonlinear refractive index (NLRI), n2, is obtained using cw, low power laser beam. As high as 4.658 × 10−11 m2/W of n2 is obtained. The all-optical switching (AOS) of the COM-ester compound is tested using two 473 and 532 nm cw, visible laser beams, both static AOS and dynamic AOS. © 2023 Elsevier GmbH
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