Acesulfame based Co (II) complex: Synthesis, structural investigations, solvatochromism, Hirshfeld surface analysis and molecular docking studies
A novel acesulfame based Co (II) complex,[Co (acs) 2 (abz) 2]. C 2 H 4 O, was prepared and
structurally elucidated by single crystal X-ray crystallography, UV–Vis, FT-IR spectroscopy …
structurally elucidated by single crystal X-ray crystallography, UV–Vis, FT-IR spectroscopy …
Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-chloro-2, 6-bis (4-chlorophenyl)-3-methylpiperidin-4-one
Abstract The 3-chloro-2, 6-bis (4-chlorophenyl)-3-methylpiperidin-4-one (CCMP) compound
have been characterized by FT-IR, 1 H-NMR, 13 C-NMR, 1 H-1 H NOESY spectroscopy and …
have been characterized by FT-IR, 1 H-NMR, 13 C-NMR, 1 H-1 H NOESY spectroscopy and …
Synthesis, solvent-solute interactions (polar and non-polar), spectroscopic insights, topological aspects, Fukui functions, molecular docking, ADME, and donor …
The favorite heteroatom-containing compound, 2-(trifluoromethyl) benzimidazole (2TFMBI),
was synthesized and experimentally characterized using spectroscopic techniques. Density …
was synthesized and experimentally characterized using spectroscopic techniques. Density …
Synthesis, structural and molecular characterization of 2, 2-diphenyl-2H, 3H, 5H, 6H, 7H-imidazo [2, 1-b][1, 3] thiazin-3-one
The thiohydantoin scaffold is of substantial importance and it is commonly used in drug
discovery. Herein, a novel thiohydantoin-based compound, namely 2, 2-diphenyl-2H, 3H …
discovery. Herein, a novel thiohydantoin-based compound, namely 2, 2-diphenyl-2H, 3H …
Synthesis, structural, third-order nonlinear optical properties and Hirshfeld surface analysis of 1-((E)-(4-chlorophenylimino) methyl) naphthalen-2-ol
A Schiff base was synthesized via a slow evaporation approach using the condensation
reaction of substituted aniline and 2-hydroxy-1-naphthaldehyde. Single Crystal X-Ray …
reaction of substituted aniline and 2-hydroxy-1-naphthaldehyde. Single Crystal X-Ray …
Crystal growth, morphological, mechanical, spectroscopic studies, optical properties, molecular docking, ADME/T, Hirshfeld surfaces analysis and theoretical …
Molecular organic–inorganic single crystals of 4-carboxyanilinium dihydrogenphosphate [4-
CADP] have been grown by the slow evaporation technique. The crystal structure was re …
CADP] have been grown by the slow evaporation technique. The crystal structure was re …
Investigating the flotation performance and interfacial adsorption mechanism of N-benzoyl-N', N'-diethyl thiourea on chalcopyrite and pyrite
H Duan, X Huang, X Cao, Z Cao, H Zhong, J Zeng… - Minerals …, 2021 - Elsevier
Flotation collectors with strong collecting ability and superior selectivity have important
application prospects for recovering complex and refractory copper sulfide resources …
application prospects for recovering complex and refractory copper sulfide resources …
Synthesis, crystal structure, DFT calculations, Hirshfeld surface, vibrational and optical properties of a novel hybrid non-centrosymmetric material (C10H15N2) …
Y Oueslati, S Kansız, A Valkonen, T Sahbani… - Journal of Molecular …, 2019 - Elsevier
This present work undertakes the study of a novel organic–inorganic hybrid material, which
has been obtained successfully by an acid-base reaction at room temperature and …
has been obtained successfully by an acid-base reaction at room temperature and …
Solvent–solute and Non-covalent interactions on bis (4-Piperidinonium ethyl ketal) oxalate compound: DFT calculations and in Silico Drug-Target Profiling
M Jemai, N Issaoui, T Roisnel, AS Kazachenko… - Journal of Molecular …, 2023 - Elsevier
In the present paper, we deliver the synthesis, experimental results, and theoretical
examination of a newly developed organic supramolecular compound, entitled bis (4 …
examination of a newly developed organic supramolecular compound, entitled bis (4 …
Synthesis, structure, Hirshfeld surface analysis and photophysical studies of red emitting europium acetylacetonate complex incorporating a phenanthroline derivative
Two new octa-coordinated red emitting complexes of the type [Ln (acac) 3 (Br 2-phen)][acac:
acetylacetonate, Br 2-phen: 4, 7-dibromo-1, 10-phenanthroline, Ln: Sm (III) and Eu (III)] have …
acetylacetonate, Br 2-phen: 4, 7-dibromo-1, 10-phenanthroline, Ln: Sm (III) and Eu (III)] have …