Synthesis, structural characterization, DFT calculations, and molecular docking of a novel quinoline derivative

A Jamal, MSH Faizi, D Necmi - Journal of Molecular Structure, 2024 - Elsevier
A novel quinoline derivative,(E)-N-phenyl-4-((quinoli-4-ylmethylene) amino) aniline (PQYA),
was synthesized using a previously reported approach with 80% yield. Single X-ray …

A third-order nonlinear optical single crystal of 3, 4-dimethoxy-substituted chalcone derivative with high laser damage threshold value: a potential material for optical …

V Parol, AN Prabhu, MA Taher… - Journal of Materials …, 2020 - Springer
Third-order nonlinear optical material 4-(1 E)-3-(3, 4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl
phenyl 4-methylbenzene-1-sulfonate (DMPMS) is crystallized by slow solvent evaporation …

An analysis of structural and spectroscopic signatures, the reactivity study of synthetized 4, 6-dichloro-2-(methylsulfonyl) pyrimidine: A potential third-order nonlinear …

PK Murthy, C Valverde, V Suneetha… - Journal of Molecular …, 2019 - Elsevier
Abstract In this work the 4, 6-dichloro-2-(methylsulfonyl) pyrimidine (DCMSP) has been
synthesized from 4, 6-dichloro-2-(methylthio) pyrimidine, its molecular and electronic …

Synthesis and structural studies on (E)-3-(2, 6-difluorophenyl)-1-(4-fluorophenyl) prop-2-en-1-one: a promising nonlinear optical material

ID Borges, JAV Danielli, VEG Silva, LO Sallum… - RSC …, 2020 - pubs.rsc.org
A new fluorinated chalcone (E)-3-(2, 6-difluorophenyl)-1-(4-fluorophenyl) prop-2-en-1-one
was synthesized in 90% yield and crystallized by a slow evaporation technique. Its full …

Second harmonic generation in pyrazoline derivatives of dibenzylideneacetones and chalcone: A combined experimental and theoretical approach

RS de Araújo, AM de Alcântara, LMG Abegão… - … of Photochemistry and …, 2020 - Elsevier
In this work, we investigate theoretically and experimentally second harmonic generation
(SHG) in three pyrazoline compounds, being two derivatives of dibenzylideneacetone …

DFT analysis on spectral and NLO properties of (2E)-3-[4-(dimethylamino) phenyl]-1-(naphthalen-2-yl) prop-2-en-1-one; a d-π-A chalcone derivative and its docking …

CSN Lakshmi, S Balachandran, DD Arul… - Chemical Data …, 2019 - Elsevier
The optimization and spectral (IR, 1 H and 13 C NMR) analysis of the synthesized chalcone
derivative (2E)-3-[4-(dimethylamino) phenyl]-1-(naphthalen-2-yl) prop-2-en-1-one was …

[HTML][HTML] Molecular modelling and optical properties of a novel fluorinated chalcone

JMF Custodio, JJA Guimarães-Neto, R Awad… - Arabian Journal of …, 2020 - Elsevier
Chalcones exhibit a broad spectrum of biological activities, mainly due to α, β-unsaturated
ketone, and are precursors of the biosynthesis of flavonoids present in plants. These …

Multifaceted Study of a Y-Shaped Pyrimidine Compound: Assessing Structural Properties, Docking Interactions, and Third-Order Nonlinear Optics

KM Potla, P Nuthalapati, JT Sasi Mohan, FAP Osório… - ACS …, 2024 - ACS Publications
In this study, we report the synthesis of a new compound, N 4, N 4-dimethyl-2-
(methylsulfanyl)-N 6-(4-phenoxyphenyl) pyrimidine-4, 6-diamine (DMS), and its …

Structural and optical characterization of novel nitro substituted D-π-A-π-A type chalcone single crystal showing second-order and third-order nonlinear optical …

V Parol, V Upadhyaya, GS Hegde, NK Lokanath… - Physica B: Condensed …, 2020 - Elsevier
In this report, nonlinear optical crystal has both second-order and third-order nonlinear
optical properties, and crystal is grown by using a slow solvent evaporation technique. The …

Molecular modeling and nonlinear optical properties of new isostructural halogenated dihydroquinolinones

LO Sallum, C Valverde, IL Andrade… - New Journal of …, 2022 - pubs.rsc.org
Two new isostructural halogenated dihydroquinolinones were synthesized and
characterized by single crystal X-ray diffraction. A detailed isostructural analysis of the …