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 …

Synthesis, crystal structure, spectroscopic and nonlinear optical properties of organic salt: A combined experimental and theoretical study

MSH Faizi, FAP Osório, C Valverde - Journal of Molecular Structure, 2020 - Elsevier
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 …

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 Kumar, V Deval, P Tandon, A Gupta… - Spectrochimica Acta Part …, 2014 - Elsevier
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 …

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 …

R Kumar, A Kumar, V Deval, A Gupta, P Tandon… - Journal of Molecular …, 2017 - Elsevier
In the present work, a combined experimental and theoretical study on ground state
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 …

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 …

S Omar, M Shkir, MA Khan, Z Ahmad, S AlFaify - Optik, 2020 - Elsevier
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 …

Computational study of structural, optoelectronic and nonlinear optical properties of dynamic solid-state chalcone derivatives

AR Chaudhry, A Irfan, S Muhammad… - Journal of Molecular …, 2017 - Elsevier
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 …

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 …

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 …

Theoretical and experimental approach to the investigation of hyperpolarizability and charge transfer characteristics of NLO active 2′, 3, 4, 4′, 5-pentamethoxy …

JS John, D Sajan, C Narayana, N Joy, R Philip - Optical Materials, 2018 - Elsevier
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 …