Physical and theoretical investigations on piperazinium 3, 5-dinitrobenzoate (PDNB) single crystal: A potential candidate for third-order nonlinear optical (NLO) …
S Dharmalingam, GN Muthukrishnan - Journal of Molecular Structure, 2022 - Elsevier
A potential third-order nonlinear optical (NLO) material of piperazinium 3, 5-dinitrobenzoate
(PDNB) has been synthesized from the pure aqueous solution through protonation reaction …
(PDNB) has been synthesized from the pure aqueous solution through protonation reaction …
Synthesis, crystal structure, Hirshfeld surface, nonlinear optical properties and computational studies of (E)-4-bromo-N'-(3, 4-dimethoxybenzylidene) benzohydrazide …
Abstract (E)-4-bromo-N'-(3, 4-dimethoxybenzylidene) benzohydrazide (DMBH) single
crystals were synthesized by Schiff base method. The crystal structure of DMBH single …
crystals were synthesized by Schiff base method. The crystal structure of DMBH single …
Growth and characterization of a cyclohexanone based chalcone crystal 2 (E)-(4-N, N-dimethylaminobenzylidene)-5-methylcyclohexanone for nonlinear optical …
The cyclohexanone based chalcone, 2 (E)-(4-N, N-dimethylaminobenzylidene)-5-
methylcyclohexanone (DABMC) synthesized by base catalyzed Claisen-Schmidt …
methylcyclohexanone (DABMC) synthesized by base catalyzed Claisen-Schmidt …
Conformational, spectroscopic and nonlinear optical investigations on 1-(4-chlorophenyl)-3-(4-chlorophenyl)-2-propen-1-one: a DFT study
The density functional theory calculations on 1-(4-chlorophenyl)-3-(4-chlorophenyl)-2-
propen-1-one (CPCPP) are performed by using B3LYP and HSEh1PBE levels. These …
propen-1-one (CPCPP) are performed by using B3LYP and HSEh1PBE levels. These …
Vibrational spectra analysis, NBO, HOMO–LUMO, and nonlinear optical behavior studies on 3-(3, 4-dimethoxyphenyl)-1-(pyridin-2-yl) prop-2-en-1-one
MPS Yadav, A Kumar, A Jayarama - Monatshefte für Chemie-Chemical …, 2016 - Springer
A combined experimental and theoretical study on molecular structure, vibrational spectra,
HOMO–LUMO analysis, and hyperpolarizability of organic nonlinear optical crystal 3-(3, 4 …
HOMO–LUMO analysis, and hyperpolarizability of organic nonlinear optical crystal 3-(3, 4 …
Nonlinear optical properties of natural hydroxyanthraquinones studied using density functional theory (DFT) technique
PS Patil, N Sekar - Journal of Photochemistry and Photobiology A …, 2024 - Elsevier
The present study reports the theoretical investigation of nonlinear optical (NLO) properties
of natural hydroxyanthraquinones using the Density Functional Theory (DFT) method. The …
of natural hydroxyanthraquinones using the Density Functional Theory (DFT) method. The …
Crucial role of molecular planarity on the second order nonlinear optical property of pyridine based chalcone single crystals
AP Menezes, A Jayarama, SW Ng - Journal of Molecular Structure, 2015 - Elsevier
An efficient nonlinear optical material 2E-3-(4-bromophenyl)-1-(pyridin-3-yl) prop-2-en-1-
one (BPP) was synthesized and single crystals were grown using slow evaporation solution …
one (BPP) was synthesized and single crystals were grown using slow evaporation solution …
Structure and nonlinear optical properties of (E)-1-(4-aminophenyl)-3-(3-chlorophenyl) prop-2-en-1-one: a promising new D-π-A-π-D type chalcone derivative crystal …
In this paper, we present the structure and nonlinear optical (NLO) studies of a D-π-A-π-D
type chalcone derivative,(E)-1-(4-aminophenyl)-3-(3-chlorophenyl) prop-2-en-1-one …
type chalcone derivative,(E)-1-(4-aminophenyl)-3-(3-chlorophenyl) prop-2-en-1-one …
Synthesis, growth, vibrational spectral investigations and structure–property relationship of an organic NLO crystal: 3, 4-dimethoxy chalcone
Dimethoxy chalcone, a nonlinear optical material, was synthesized and noncentro
symmetric single crystals were grown in solution by slow evaporation technique. Thermal …
symmetric single crystals were grown in solution by slow evaporation technique. Thermal …
Molecular conformational analysis, vibrational spectra, NBO analysis and first hyperpolarizability of (2E)-3-phenylprop-2-enoic anhydride based on density functional …
YS Mary, K Raju, CY Panicker, AA Al-Saadi… - … Acta Part A: Molecular …, 2014 - Elsevier
The conformational behavior and structural stability of (2E)-3-phenylprop-2-enoic anhydride
were investigated by using density functional theory. Seventeen possible stable …
were investigated by using density functional theory. Seventeen possible stable …