Experimental and computational study on molecular structure, natural bond orbital and natural hybrid orbital analysis of non-linear optical material trans-3-(o …
V Karunakaran, V Balachandran - Journal of Molecular Structure, 2013 - Elsevier
Fourier transform infrared and Fourier transform Raman spectra of trans-3-(o-hydroxyphenyl-
1-phenyl)-2-propen-1-one (or simply 2-hydroxychalcone) were recorded in the regions 4000 …
1-phenyl)-2-propen-1-one (or simply 2-hydroxychalcone) were recorded in the regions 4000 …
Synthesis, crystal structure, spectroscopic and nonlinear optical properties of organic salt: A combined experimental and theoretical study
Abstract The 2-methoxy-pyrido [1, 2-a] quinoxalin-11-ylium bromide (2MPQYB) crystal was
characterized from single crystal X-ray diffraction (SCXRD) and spectroscopy analysis. The …
characterized from single crystal X-ray diffraction (SCXRD) and spectroscopy analysis. The …
Experimental and theoretical (FT-IR, FT-Raman, UV–vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material:(2E)-3-[4 …
A combined experimental and theoretical investigation on FT-IR, FT-Raman, NMR, UV–vis
spectra of a chalcone derivative (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2 …
spectra of a chalcone derivative (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2 …
Molecular structure, spectroscopic (FT-IR, FT Raman, UV, NMR and THz) investigation and hyperpolarizability studies of 3-(2-Chloro-6-fluorophenyl)-1-(2-thienyl) prop …
In the present work, a combined experimental and theoretical study on ground state
molecular structure, spectroscopic and nonlinear optical properties of the chalcone …
molecular structure, spectroscopic and nonlinear optical properties of the chalcone …
Computational determination of the electronic and nonlinear optical properties of the molecules 2-(4-aminophenyl) quinoline, 4-(4-aminophenyl) quinoline …
GW Ejuh, N Samuel, TN Fridolin, NJ Marie - Materials Letters, 2016 - Elsevier
Abstract The Electronic and Nonlinear Optical properties of the donor-acceptor molecules 2-
(4-aminophenyl) Quinoline, 4-(4-aminophenyl) Quinoline, Anthraquinone; and the …
(4-aminophenyl) Quinoline, 4-(4-aminophenyl) Quinoline, Anthraquinone; and the …
A comprehensive study on molecular geometry, optical, HOMO-LUMO, and nonlinear properties of 1, 3-diphenyl-2-propen-1-ones chalcone and its derivatives for …
Herein we are investigating the key functions of 1, 3-diphenyl-2-propen-1-ones chalcone
and designed its several derivatives by replacing the functional groups. Molecular geometry …
and designed its several derivatives by replacing the functional groups. Molecular geometry …
Computational study of structural, optoelectronic and nonlinear optical properties of dynamic solid-state chalcone derivatives
In the present study, we use the state of art density functional theory (DFT) techniques to
calculate the structural, optoelectronic and nonlinear optical (NLO) properties for two novel …
calculate the structural, optoelectronic and nonlinear optical (NLO) properties for two novel …
Novel benzofuran based chalcone material for potential nonlinear optical application
S Satheeshchandra, D Haleshappa, S Rohith… - Physica B: Condensed …, 2019 - Elsevier
A novel nonlinear optical material,(2E)-1-(1-benzofuran-2-yl)-3-(2-bromophenyl) prop-2-en-
1-one monohydrate; is synthesized and crystals are grown at ambient temperature using …
1-one monohydrate; is synthesized and crystals are grown at ambient temperature using …
Structural, linear optical, second and third-order nonlinear optical properties of two halogenated chalcone derivatives containing thiophene moiety
VS Naik, PS Patil, NB Gummagol, QA Wong… - Chemical Physics …, 2020 - Elsevier
Two halogenated chalcones B3B2SC and C3B2SC were synthesized for NLO applications.
Single-crystal X-ray diffraction, spectroscopic (NMR and FT-IR), thermal and DFT studies …
Single-crystal X-ray diffraction, spectroscopic (NMR and FT-IR), thermal and DFT studies …
Theoretical and experimental approach to the investigation of hyperpolarizability and charge transfer characteristics of NLO active 2′, 3, 4, 4′, 5-pentamethoxy …
Abstract Organic crystals of 2′, 3, 4, 4′, 5-pentamethoxy chalcone (PMC), grown by slow
evaporation technique, are subjected to spectroscopic and nonlinear optical analyses. The …
evaporation technique, are subjected to spectroscopic and nonlinear optical analyses. The …