scholarly journals Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies

RSC Advances ◽  
2020 ◽  
Vol 10 (69) ◽  
pp. 41967-41982
Author(s):  
Tunde L. Yusuf ◽  
Taiwo W. Quadri ◽  
Gideon F. Tolufashe ◽  
Lukman O. Olasunkanmi ◽  
Eno E. Ebenso ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Corrosion Inhibition ◽  
Transition Metal Complexes ◽  
Computational Studies ◽  
Donor Atom ◽  
Phenanthroline Ligands

The structural and corrosion inhibition properties of four different transition-metal complexes of heteroleptic S-donor atom dithiophosphonate and N-donor atom phenanthroline ligands are reported.

Incorporation of Cyano Transition Metal Complexes in KCl Crystals—Experimental and Computational Studies

2003 ◽  
Vol 56 (7) ◽  
pp. 675 ◽  
Author(s):  
Damien J. Carter ◽  
Mark I. Ogden ◽  
Andrew L. Rohl
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Potassium Chloride ◽  
Transition Metal Complexes ◽  
Computational Modelling ◽  
Experimental Results ◽  
Computational Studies ◽  
Experimental Trend

Experimental and computational studies of the incorporation of hexacyanoferrate(II), hexacyanocobaltate(III), and hexacyanoferrate(III) into potassium chloride crystals are described. The experimental results showed that the extent of incorporation follows the trend hexacyanoferrate(II) » hexacyanoferrate(III) > hexacyanocobaltate(III). Computational modelling produced replacement energies that match the experimental trend. The calculated geometry of the incorporated complexes was also found to match well with previous experimental results.

scholarly journals Synthesis, biological evaluation and corrosion inhibition studies of transition metal complexes of Schiff base

2018 ◽  
Vol 12 (1) ◽  
Author(s):  
Shubham Kashyap ◽  
Sanjiv Kumar ◽  
Kalavathy Ramasamy ◽  
Siong Meng Lim ◽  
Syed Adnan Ali Shah ◽  
...  
Keyword(s):  
Schiff Base ◽  
Transition Metal ◽  
Metal Complexes ◽  
Corrosion Inhibition ◽  
Transition Metal Complexes ◽  
Biological Evaluation ◽  
Inhibition Studies

scholarly journals Transition Metal Complexes of Mixed Bioligands: Synthesis, Characterization, DFT Modeling, and Applications

2019 ◽  
Vol 2019 ◽  
pp. 1-18 ◽  
Author(s):  
Mohamed S. A. Abdel-Mottaleb ◽  
Eman H. Ismail
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Corrosion Inhibition ◽  
Transition Metal Complexes ◽  
Pathogenic Bacteria ◽  
Chemical Potential ◽  
Biological Activities ◽  
Aluminum Surface ◽  
Bacteria And Fungi

Divalent transition metal complexes [MGlu-Arg (H2O)]H2O and [MGlu-Arg (H2O)]H2O, where M = Co, Ni, Cu, and Zn, Glu = glutamic acid, and Arg = L-arginine, are prepared and characterized using different techniques. DFT and TD-DFT modelling validated and interpreted some experimental results. Weight loss technique reveals efficient corrosion inhibition action of these complexes towards aluminum metal at different temperatures. Our results point to corrosion inhibition through chemical adsorption on the aluminum surface. Additionally, a facile calcination of Co and Cu complexes at 550°C yields nanosized oxides of Co3O4, CoO, and CuO crystalline phases. The complexes show remarkable biological activities towards pathogenic bacteria and fungi. Moreover, in vitro anticancer activity evaluation of these complexes is achieved against hepatocellular carcinoma (HepG-2). The results are correlated with molecular descriptors such as chemical potential and hardness obtained from the frontier orbitals.

(NH)-Phosphanylamido- and (PH)-Phosphoraneiminato Transition-Metal Complexes:  Syntheses, Structures, and Computational Studies†

2001 ◽  
Vol 20 (9) ◽  
pp. 1770-1775 ◽  
Author(s):  
Michael Raab ◽  
Andreas Sundermann ◽  
Gerold Schick ◽  
Armin Loew ◽  
Martin Nieger ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Computational Studies

Structural designing, spectral and computational studies of bioactive Schiff's base ligand and its transition metal complexes

2017 ◽  
Vol 32 (1) ◽  
pp. e3915 ◽  
Author(s):  
Seema Gautam ◽  
Sulekh Chandra ◽  
Hament Rajor ◽  
Swati Agrawal ◽  
Praveen Kumar Tomar
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Computational Studies ◽  
Schiff’S Base

scholarly journals NH-Phosphanylamido- and PH-Phosphoraneiminato Transition-Metal Complexes: Syntheses, Structures and Computational Studies

2002 ◽  
Vol 177 (8-9) ◽  
pp. 2153-2154 ◽  
Author(s):  
M. Raab ◽  
A. Sundermann ◽  
G. Schick ◽  
M. Nieger ◽  
W. W. Schoeller ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Computational Studies

scholarly journals Coordination Behavior of [Cp″2Zr(µ1:1-As4)] towards Lewis Acids

Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 2966
Author(s):  
Veronika Heinl ◽  
Gábor Balázs ◽  
Sarah Koschabek ◽  
Maria Eckhardt ◽  
Martin Piesch ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Lewis Acid ◽  
Reaction Temperature ◽  
Lewis Acids ◽  
Computational Studies ◽  
Coordination Modes ◽  
Coordination Numbers ◽  
Coordination Behavior

The functionalization of the arsenic transfer reagent [Cp″2Zr(η1:1-As4)] (1) focuses on modifying its properties and enabling a broader scope of reactivity. The coordination behavior of 1 towards different Lewis-acidic transition metal complexes and main group compounds is investigated by experimental and computational studies. Depending on the steric requirements of the Lewis acids and the reaction temperature, a variety of new complexes with different coordination modes and coordination numbers could be synthesized. Depending on the Lewis acid (LA) used, a mono-substitution in [Cp″2Zr(µ,η1:1:1:1-As4)(LA)] (LA = Fe(CO)4 (4); B(C6F5)3 (7)) and [Cp″2Zr(µ,η3:1:1-As4)(Fe(CO)3)] (5) or a di-substitution [Cp″2Zr(µ3,η1:1:1:1-As4)(LA)2] (LA = W(CO)5 (2); CpMn(CO)2 (3); AlR3 (6, R = Me, Et, iBu)) are monitored. In contrast to other coordination products, 5 shows an η3 coordination in which the butterfly As4 ligand is rearranged to a cyclo-As4 ligand. The reported complexes are rationalized in terms of inverse coordination.

Sign in / Sign up

Export Citation Format

Share Document