Curcumin analogue: Synthesis, DFT and nonlinear optical studies
Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
Standard
Curcumin analogue : Synthesis, DFT and nonlinear optical studies. / Faisal, Ayman G.; Hassan, Qusay M.A.; Alsalim, Tahseen A.; Sultan, H. A.; Kamounah, Fadhil S.; Emshary, C. A.; Hussein, Kawkab Ali.
I: Optik, Bind 306, 171800, 2024.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
Harvard
APA
Vancouver
Author
Bibtex
}
RIS
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 -
ID: 391313746