Mechanism of Rh-catalyzed oxidative cyclizations: closed versus open shell pathways

Y Park, S Ahn, D Kang, MH Baik - Accounts of chemical research, 2016‏ - ACS Publications
Conspectus A conceptual theory for analyzing and understanding oxidative addition
reactions that form the cornerstone of many transition metal mediated catalytic cycles that …

Density functional theory calculations of Rh-β-diketonato complexes

J Conradie - Dalton Transactions, 2015‏ - pubs.rsc.org
Density functional theory (DFT) results on the geometry, energies and charges of selected
Rh-β-diketonato reactants, products and transition states are discussed. Various DFT …

Influence of substituents on the reduction potential and pKa values of β-diketones tautomers: A theoretical study

AA Adeniyi, J Conradie - Electrochimica Acta, 2019‏ - Elsevier
Insight is provided into the reduction potential, pK a, energy of deprotonation and other
electronic properties of eleven keto-enol tautomers of β-diketone derivatives, using density …

Redox potentials of ligands and complexes-a DFT approach

KG Von Eschwege, J Conradie - South African Journal of Chemistry, 2011‏ - scielo.org.za
ABSTRACT A review of the limited literature concerned with theoretical ways to predict
experimentally measured redox potentials of ligands and complexes is presented …

Assessing dual Rh/Ru cascade catalysts in one-pot homogeneous synthesis of ethanol from syngas and methanol

JS Zhang, YF Jiang, F Guan, S Zhang, CQ Xu… - CCS …, 2023‏ - chinesechemsoc.org
The direct conversion of cheap syngas into value-added ethanol at an industrial scale is in
high demand. Herein we disclose a one-pot homogeneous homologation of methanol to …

Electrochemical study of carbonyl phosphine β-diketonato rhodium (I) complexes

H Ferreira, MM Conradie, J Conradie - Electrochimica Acta, 2013‏ - Elsevier
The electrochemical oxidation of a series of [Rh (RCOCHCOR′)(CO)(PPh 3)] complexes
studied in acetonitrile, containing 0.100 mol dm− 3 tetra-n-butylammonium …

Rhodium (triphenylphosphine) carbonyl-2, 4-dioxo-3-pentyl-4-decanyloxybenzoate: synthesis, electrochemistry and oxidative addition kinetics

NF Stuurman, BE Buitendach, L Twigge… - New Journal of …, 2018‏ - pubs.rsc.org
The synthesis, electrochemistry and oxidative addition kinetics are presented for a new [Rh
(β-diketonato)(CO)(PPh3)] complex (2), of rhodium metal complexed with a β-diketonato …

[HTML][HTML] Density functional theory calculated data of the iodomethane oxidative addition to oligothiophene-containing rhodium complexes–importance of dispersion …

NGS Mateyise, J Conradie, MM Conradie - Data in Brief, 2021‏ - Elsevier
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 …

Electrochemical study of β-diketonatobis (triphenylphosphite) rhodium (I) complexes

JJC Erasmus, J Conradie - Electrochimica acta, 2011‏ - Elsevier
The electrochemical behaviour of the series of ten [Rh (RCOCHCOR′)(P (OPh) 3) 2]
complexes with R, R′= CF3, CF3 (1), CF3, CH3 (2), CF3, Ph (C6H5)(3), CF3, Fc …

Synthesis and characterization of rhodium (I) 2-methylcupferrate complexes and their kinetic behaviour in iodomethane oxidative addition

S Warsink, FG Fessha, W Purcell, JA Venter - Journal of Organometallic …, 2013‏ - Elsevier
A number of substituted monocarbonyl complexes [Rh (MeCupf)(CO)(PR3)](where R= Ph, p-
MeOph, p-Tol, o-Tol and Cy, MeCupf= N-nitroso-N-(2-methylphenyl) hydroxylaminato …