Journal ArticleDOI
Synthesis, spectral characterization, crystal structure and catalytic activity of a novel dioxomolybdenum Schiff base complex containing 4-aminobenzhydrazone ligand: A combined experimental and theoretical study
Hadi Kargar,Hadi Kargar,Maryam Nateghi-Jahromi,Mehdi Fallah-Mehrjardi,Reza Behjatmanesh-Ardakani,Khurram Shahzad Munawar,Saqib Ali,Muhammad Ashfaq,Muhammad Tahir +8 more
TLDR
In this article, a dioxomolybdenum Schiff base complex was synthesized by the reaction of MoO2(acac)2 and an ONO donor base ligand (H2L: (E)-4-amino-N'-(3-ethoxy-2-hydroxybenzylidene)benzohydrazide) derived by the condensation of 4-aminobenzohydraide and 3-ethoxysalicylaldehyde.About:
This article is published in Journal of Molecular Structure.The article was published on 2022-02-05. It has received 16 citations till now. The article focuses on the topics: Chemistry & Schiff base.read more
Citations
More filters
Journal ArticleDOI
Synthesis, Crystal Structure, Hirshfeld Surface analysis, DNA binding, Optical and Nonlinear Optical Properties of Schiff Bases derived from o-aminophenol
Khurram Shahzad Munawar,Saqib Ali,Shabbir Muhammad,M. Ashfaq,Syed Mustansar Abbas,Muhammad Tahir,Saifeldin M. Siddeeg,Gulzar Ahmed +7 more
TL;DR: In this paper , two new Schiff bases derived from o -aminophenol named 2-[(E)-(3-chlorophenyl)methylidene]amino-phenol (2AP3Cl) and 4-Chloro-2-(E)-[(2-hydroxyphenyl)iminio]methyl-phenolate(2AP5Cl) were characterized by different Spectro analytical techniques like CHN, FT-IR, and NMR ( 1 H and 13 C) analysis.
Journal ArticleDOI
Bioactive Ni(II), Cu(II) and Zn(II) complexes with an N3 functionalized Schiff base ligand: Synthesis, structural elucidation, thermodynamic and DFT calculation studies
TL;DR: In this paper , a triaza Schiff base ligand (N-(2quinolylmethylidene)-4X-2-aminobenzene)imine (where X = Me, Cl, NO2)) was synthesized.
Journal ArticleDOI
Synthesis, crystal structure, spectral characterization, theoretical studies, and investigation of catalytic activity in selective oxidation of sulfides by oxo-peroxo tungsten(VI) Schiff base complex
Hadi Kargar,Majid Moghadam,Leyla Shariati,Nourollah Feizi,Mehdi Fallah-Mehrjardi,Reza Behjatmanesh-Ardakani,Khurram Shahzad Munawar +6 more
TL;DR: In this paper , a novel oxo-peroxo tungsten(VI) Schiff base complex, [WO(O2)L(CH3OH)], a homogeneous catalyst for sulfoxidation was synthesized by treating WO3 in the presence of H2O2 with a dibasic tridentate (ONO) base ligand, which was characterized by FT-IR, 1H NMR, and 13C NMR spectroscopy.
Journal ArticleDOI
Structural and computational analysis, spectroscopic and electrochemical elucidation of a Schiff base
Khurram Shahzad Munawar,Saqib Ali,Abdur Rauf,Shamsa Bibi,M. Ashfaq,Muhammad Tahir,Shafiq Urréhman,Lubna Rasool +7 more
Journal ArticleDOI
Theoretical studies, Hirshfeld surface analysis, and crystal structure determination of a newly synthesized benzothiazole copper(II) complex
Hadi Kargar,M. Ashfaq,Mehdi Fallah-Mehrjardi,Reza Behjatmanesh-Ardakani,Khurram Shahzad Munawar,Muhammad Tahir +5 more
TL;DR: In this article , a mononuclear copper(II) complex [Cu(LBTZ)2] was synthesized from the Schiff base HLBTZ (2-(benzo[d]thiazol-2-yl)-6-ethoxyphenol).
References
More filters
Journal ArticleDOI
Density‐functional thermochemistry. III. The role of exact exchange
TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
Journal ArticleDOI
Crystal structure refinement with SHELXL
TL;DR: New features added to the refinement program SHELXL since 2008 are described and explained.
Journal ArticleDOI
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
TL;DR: A large set of more than 300 molecules representing all elements-except lanthanides-in their common oxidation states was used to assess the quality of the bases all across the periodic table, and recommendations are given which type of basis set is used best for a certain level of theory and a desired quality of results.
Journal ArticleDOI
Quantum mechanical continuum solvation models.
TL;DR: This paper presents a meta-modelling procedure called "Continuum Methods within MD and MC Simulations 3072", which automates the very labor-intensive and therefore time-heavy and expensive process of integrating discrete and continuous components into a discrete-time model.
Journal ArticleDOI
Structure validation in chemical crystallography
TL;DR: This paper reports on the current status of structure validation in chemical crystallography and describes the current state of research in this area.