TY - JOUR

T1 - Curcumin analogue

T2 - Synthesis, DFT and nonlinear optical studies

AU - Faisal, Ayman G.

AU - Hassan, Qusay M.A.

AU - Alsalim, Tahseen A.

AU - Sultan, H. A.

AU - Kamounah, Fadhil S.

AU - Emshary, C. A.

AU - Hussein, Kawkab Ali

N1 - Publisher Copyright: © 2024 Elsevier GmbH

PY - 2024

Y1 - 2024

N2 - The synthesis of a new curcumin analogue dye via 3-chloro-2,4-pentanedion condensing with an aromatic aldehyde is considered. Following that, the synthesized compound is diagnosed utilizing spectroscopic methods, including FTIR, mass, 1H NMR, and 13CNMR. The curcumin analogue geometric optimization and theoretical studies are conducted on thermodynamic properties using DFT. The B3LYP techniques, which are hybrid functional with a 6–311+G(d) as the basis set, are adopted to compute the HOMO, LUMO, and Mullikan atom charges of the studied compound. The curcumin analogue dye nonlinear optical (NLO) properties are examined under excitation with a 473 nm, low power, cw and TEM00 mode laser beam. The index of nonlinear refraction (INLR) and coefficient of nonlinear absorption (CNLA) are estimated using diffraction patterns for the former and Z-scan for the latter. The INLR reaches a value as high as 6.86×10−11 m2/W, while the CNLA reaches 2.23×10−3 cm/W. All-optical switching (AOS) is tested in the novel curcumin analogue dye using two methods: static AOS and dynamic AOS.

AB - The synthesis of a new curcumin analogue dye via 3-chloro-2,4-pentanedion condensing with an aromatic aldehyde is considered. Following that, the synthesized compound is diagnosed utilizing spectroscopic methods, including FTIR, mass, 1H NMR, and 13CNMR. The curcumin analogue geometric optimization and theoretical studies are conducted on thermodynamic properties using DFT. The B3LYP techniques, which are hybrid functional with a 6–311+G(d) as the basis set, are adopted to compute the HOMO, LUMO, and Mullikan atom charges of the studied compound. The curcumin analogue dye nonlinear optical (NLO) properties are examined under excitation with a 473 nm, low power, cw and TEM00 mode laser beam. The index of nonlinear refraction (INLR) and coefficient of nonlinear absorption (CNLA) are estimated using diffraction patterns for the former and Z-scan for the latter. The INLR reaches a value as high as 6.86×10−11 m2/W, while the CNLA reaches 2.23×10−3 cm/W. All-optical switching (AOS) is tested in the novel curcumin analogue dye using two methods: static AOS and dynamic AOS.

KW - All-0ptical switching

KW - Curcumin analogue

KW - DFT

KW - DPs

KW - Mullikan charges

KW - Z-scan

U2 - 10.1016/j.ijleo.2024.171800

DO - 10.1016/j.ijleo.2024.171800

M3 - Journal article

AN - SCOPUS:85190734211

VL - 306

JO - Optik

JF - Optik

SN - 0030-4026

M1 - 171800

ER -