Synthesis and spectroscopic characterization of schiff base metal complexes, biological activity, and molecular docking studies

G Venkatesh, P Vennila, S Kaya, SB Ahmed… - ACS …, 2024 - ACS Publications
New cobalt (II), copper (II), and zinc (II) Schiff metal complexes were synthesized by the
condensation reaction of 4-nitrobenzene-1, 2-diamine with 3–4-(diethylamino)-2 …

[HTML][HTML] Integrated experimental and computational study of a fluorescent Schiff base: Synthesis, characterization, electronic structure properties, and biological …

KJ Rajimon, DSR Nair, D Srinivasaragavan… - Chemical Physics …, 2024 - Elsevier
This work provides a thorough characterization of a Schiff base molecule that is produced
when terephthaldehyde and 2-chloroaniline are combined. A variety of spectroscopic …

Unveiling the multifaceted potential of (E)-N-(4-Chlorophenyl)-1-(thiophen-2-yl) methanimine with special reference to solution-state fluorescence, synthesis …

KJ Rajimon, AY Alzahrani, ES Aazam… - Journal of Molecular …, 2024 - Elsevier
Schiff bases exhibit distinctive characteristics in the realm of chemistry, physics, and
medicine, rendering them highly efficacious in the field of biology. A Schiff base was …

Solute solvent interaction study on 9, 9-dihydroxynanoic acid by DFT, IR, Raman, UV, MEP, quantum parameters and docking studies

M Lawrence, P Rajesh, A Saral, TC Jeyakumar… - Journal of Molecular …, 2024 - Elsevier
Density functional quantum mechanical research yield a comprehensive theoretical
approach on the selected organic molecule of 9, 9-dihydroxynanoic acid. The DFT approach …

[HTML][HTML] Modeling of the structural, optoelectronic, thermodynamic, dynamical stability, and the hydrogen storage density of CsSnX3 (X​=​ O, S, Se and Te) …

H Louis, EC Agwamba, UG Chukwu… - Chemistry of Inorganic …, 2023 - Elsevier
Based on density functional theory (DFT) approach, investigations on the structural,
thermodynamic, electronic, optoelectronic, phonon, mechanical, and the hydrogen …

Synthesis, computational, reactivity analysis, non-covalent interaction and docking studies on (N1E, N2E)-N1, N2-bis (2, 4-dichlorobenzylidene)-4-methylbenzene-1, 2 …

N Elangovan, TS Ganesan, A Vishveshwaran… - Journal of Molecular …, 2024 - Elsevier
Abstract Synthesis of (N 1 E, N 2 E)-N 1, N 2-bis (2, 4-dichlorobenzylidene)-4-
methylbenzene-1, 2-diamine (6B) using a procedure in a catalyst-free environment. The …

Synthesis, Solvatochromic Studies, DFT Calculations, Characterization, and In Silico Molecular Docking Studies of Azo Dyes of 3‐Methyl‐1‐phenyl‐1H‐pyrazol‐5 …

RB Shakuntala, J Keshavayya… - ChemistrySelect, 2024 - Wiley Online Library
In this work, the four azo dyes (A1–A4) were synthesized using 5‐amino‐3‐methyl‐1‐phenyl
pyrazole with four different coupling components by the conventional, simple diazo‐coupling …

[PDF][PDF] SPECTROSCOPIC, CRYSTAL STRUCTURE, HIRSHFELD SURFACE AND DFT STUDIES OF 2-AMINO-4-CHLOROBENZONITRILE

OE Dogan, E Agar, N Dege, E Normaya… - Malaysian Journal of …, 2024 - mjas.analis.com.my
This research concentrates on a summary of the global reactivity parameters on the single
crystal structure of 2-amino-4-chlorobenzonitrile, which can be utilised in a wide range of …