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Chemical kinetics, electrochemistry and structural aspects of ferrocene-containing b-diketonato complexes of rhodium(I) and iridium(I)
(University of the Free State, 1999)
English: Synthetic routes to prepare new Rh(I)-β-diketonate complexes [Rh(FcCOCHCOR)(CO)2] and [Rh(FcCOCHCOR)(CO)(PPh3)] with Fc = ferrocenyl and R = Fc, C6H5, CH3 and CF3 have been developed and optimized. Optimized ...
Isotherm, kinetic, thermodynamics and reusability data on the adsorption of antidepressant onto silver nanoparticle-loaded biowaste
(Elsevier Inc., 2021)
There has been an increase in the use of antidepressant drugs owing to significant economic challenges across the globe. Consequently, the increase in production of such drugs has impacted pharmaceutical pollution of ...
Polypyridyl copper complexes as dye sensitizer and redox mediator for dye-sensitized solar cells
(Elsevier, 2021)
Developments on the application of polypyridyl-based copper complexes in dye-sensitized solar cells (DSSCs) are briefly discussed in this mini review. Copper complexes in solar cells are special in that they can be used ...
Density functional theory calculated data of the iodomethane oxidative addition to oligothiophene-containing rhodium complexes – importance of dispersion correction
(Elsevier, 2021)
Electronic and free energy data of density functional theory calculated optimized geometries of the reactants, transition state of the oxidative addition reaction and different reaction products of the [Rh(RCOCHCOCF 3 ...
Data to understand the nature of non-covalent interactions in the thiophene clusters
(Elsevier, 2021)
We have reported herein the data to understand the nature and number of non-covalent interactions that stabilize the structures of the thiophene clusters. In addition, we have also provided the optimized Cartesian coordinates ...
QTAIM analysis dataset for non-covalent interactions in furan clusters
(Elsevier, 2021)
Furan clusters are very important to understand the dynam- ics and properties of the furan solvent. They can be used combined with quantum cluster equilibrium theory to theo- retically determine the thermodynamics properties ...
Review of DFT-simulated and experimental electrochemistry properties of the polypyridyl Row-1 Mn, Fe & Co, and Group-8 Fe, Ru and Os MLCT complexes
(Elsevier, 2022)
Ruthenium had up to date been pivotal in electro- and photocatalytic applications involving reduction of CO2 and H2O, and dye-sensitized solar cells. Commercial applications would seek use of earth-abundant metals instead. ...
Data of electronic, reactivity, optoelectronic, linear and non-linear optical parameters of doping graphene oxide nanosheet with aluminum atom
(Elsevier, 2022)
We have established a design to increase the absorption capacity, optoelectronic, linear and nonlinear optical prop- erties of the graphene oxide nanosheet (GON) based on the coronene molecule [C 24 H 12 ] with the help ...
Trans–cis kinetic study of azobenzene-4,4′-dicarboxylic acid and aluminium and zirconium based azobenzene-4,4′-dicarboxylate MOFs
(MDPI, 2022)
Metal organic frameworks (MOFs) are porous hybrid crystalline materials that consist of organic linkers coordinated to metal centres. The trans–cis isomerisation kinetics of the azobenzene-4,4′-dicarboxylic acid (AZB(COOH)2) ...
Kinetic study of the oxidative addition reaction between methyl iodide and [Rh(imino-β-diketonato)(CO)(PPh)3] complexes, utilizing UV–vis, IR spectrophotometry, NMR spectroscopy and DFT calculations
(MDPI, 2022)
The oxidative addition of methyl iodide to [Rh(β-diketonato)(CO)(PPh)3] complexes, as modal catalysts of the first step during the Monsanto process, are well-studied. The β-diketonato ligand is a bidentate (BID) ligand ...