DFT structural and optical nonlinear investigations of a synthesized new azo ?-diketone dye

被引：6
|
作者：
Raheem, Nabeel A. [1 ]
Hassan, Qusay M. A. [2 ]
Dhumad, Adil Muala [1 ]
Sultan, H. A. [2 ]
Fahad, Tarek [1 ]
Emshary, C. A. [2 ]
Ali, Nuah W. [1 ]
机构：
[1] Univ Basrah, Coll Educ Pure Sci, Dept Chem, Basrah 61001, Iraq
[2] Univ Basrah, Coll Educ Pure Sci, Dept Phys, Basrah 61001, Iraq
来源：
JOURNAL OF THE INDIAN CHEMICAL SOCIETY | 2023年 / 100卷 / 03期
关键词：
Azo ?-diketone; Keto-enol tautomers; DPs; Z; -scan; Optical limiting; CROSS-PHASE MODULATION; DIFFRACTION RINGS; LIMITING BEHAVIOR; CONTINUOUS-WAVE; ACETYLACETONE; COMPLEXES; 4-AMINOANTIPYRINE; NITROGEN;
D O I：
10.1016/j.jics.2023.100928
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A new azo beta-diketone (NA1) compound is synthesized by coupling reaction of 4-aminoantipyrine with acety-lacetone. The NA1 compound is characterized via FTIR, Mass, 1H NMR and 13C NMR spectroscopies. The keto-enol tautomers of the compound electronic structures and energies are investigated using density functional theory (DFT) via B3LYP method/6-311G (d,p) level. The NA1 compound nonlinear optical (NLO) properties are studied via the diffraction patterns (DPs) and the Z-scan where the compound nonlinear index of refraction (NIR), the optical limiting (OLg) property using 473 nm visible, low power, continuous (cw) laser beam are used while the all-optical switching (AOS) property is studied using two laser beams of wavelengths 473 nm and 532 nm.
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页数：11
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