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.

引用

页数：11

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