Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Characterisation, electrochemical and oxidative addition data of organophosphorus-containing rhodium(I) complexes.

ABSTRACT: This data article contains the ¹H Nuclear Magnetic Resonance (NMR), ultraviolet and visible (UV-vis) and Attenuated Total Reflectance Fourier Transformed Infra-red (ATR FTIR) characterization of a series of organophosphorus-containing rhodium(I) complexes. The electrochemical data acquired by means of cyclic voltammetry of the three organophosphorus-containing ligands (with the structure C₆H₅XPPh₂, where X?=?O, S and NH) and their acetylacetonato (monocarbonyl) organophosphorus rhodium(I) compounds, [Rh(acac)CO(C₆H₅XPPh₂)] are reported. Additionally, the kinetic data of the oxidative addition of methyl iodide to the rhodium(I) complexes, are also presented.

SUBMITTER: Manana PS

PROVIDER: S-EPMC6234413 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Characterisation, electrochemical and oxidative addition data of organophosphorus-containing rhodium(I) complexes.

Manana P S PS Erasmus E E

Data in brief 20181027

This data article contains the 1H Nuclear Magnetic Resonance (NMR), ultraviolet and visible (UV-vis) and Attenuated Total Reflectance Fourier Transformed Infra-red (ATR FTIR) characterization of a series of organophosphorus-containing rhodium(I) complexes. The electrochemical data acquired by means of cyclic voltammetry of the three organophosphorus-containing ligands (with the structure C6H5XPPh2, where X = O, S and NH) and their acetylacetonato (mono ...[more]

PMID: 30456263

Similar Datasets

Density functional theory calculated data of the iodomethane oxidative addition to oligothiophene-containing rhodium complexes - Importance of dispersion correction.

Project description: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(RCOCHCOCF3)(CO)(PPh3)] + CH3I reactions (R = C4H3S, C4H3S-C4H2S and C4H3S-C4H2S-C4H2S) are presented to illustrate the influence of the amount of thiophene groups, the implicit solvent and dispersion correction on the calculated energies. All calculations were done with the B3LYP functional, in gas as well as in solvent phase, with and without dispersion correction. The data can save computational chemists time when choosing an appropriate method to calculate reaction energies of oxidative addition reactions. Detailed knowledge of energies involved in the oxidative addition reaction of methyl iodide to rhodium complexes have an important implication in catalysis, for example the Monsanto process where methanol is converted to acetic acid catalysed by a rhodium complex. For more insight in the reported data, see the related research article "Synthesis, characterization, electrochemistry, DFT and kinetic study of the oligothiophene-containing complex [Rh((C4H3S-C4H2S)COCHCOCF3)(CO)(PPh3)]", published in Polyhedron [1].

| S-EPMC7973308 | biostudies-literature

Electrochemical data of Co(II) complexes containing phenanthroline functionalized ligands.

Project description:The data presented in this paper are related to the research article entitled "Electrochemical properties of a series of Co(II) complexes, containing substituted phenanthrolines" (Ferreira et al., 2018) [1]. This paper presents detailed electrochemical data of eight octahedral Co(II) complexes containing functionalized phenanthrolines-ligands. The data illustrate the shift in the CoIII/II and CoII/I redox couples due to different substituents on the phenanthrolines. Polypyridine Co(II) and Co(III) complexes exhibit properties as potential mediators in dye-sensitized solar cells (DSSCs) (Gajardo and Loeb, 2011; Yu et al., 2011) [2], [3]. The ability of a compound to act as a redox mediator to be used in DSSC, depends on the redox potential of the compound (Grätzel, 2005) [4]. Accurate data of the CoIII/II redox couple is presented here.

| S-EPMC6223223 | biostudies-literature

Data for the synthesis and characterization of fluorene-containing β-diketonato ligands and their rhodium(I) complexes.

Project description:Three novel β-diketonato ligands were synthesized containing the fluorene-group as substituent. Rhodium(I) complexes thereof were synthesized as reported in Fluorene-containing β-diketonato ligands and their Rhodium(I) complexes. The 1H and 13C NMR's of all 6 compounds are reported. Spectroscopic data of concentration variations vs. absorbance intensities are given for ligands and rhodium(I) complexes showing that they follow the Beer-Lambert law and extinction coefficients (ԑ) are determined. Fluorescence quantum yields are determined and graphs showing the integrated fluorescent intensities vs. absorbance are shown. The electrochemistry data of compounds 1 - 6 are reported for scan at 100 - 500 mV/s scan speeds. No electrochemical processes were observed for the fluorene-group, only the Rh(I) and β-diketonato processes were observed.

| S-EPMC7973143 | biostudies-literature

Palladium-Protein Oxidative Addition Complexes by Amine-Selective Acylation.

Project description:Palladium oxidative addition complexes (OACs) are traditionally accessed by treating an aryl halide-containing substrate with a palladium(0) source. Here, a new strategy to selectively prepare stable OACs from amino groups on native proteins is presented. The approach relies on an amine-selective acylation reaction that occurs without modification of a preformed palladium(II)-aryl group. Once transferred onto a protein substrate, the palladium(II)-aryl group facilitates conjugation by undergoing reaction with a second, cysteine-containing protein. This operationally simple method is applicable to native, nonengineered enzymes as well as antibodies and is carried out in an aqueous setting and open to air. The resulting Pd-protein OACs are stable, storable reagents that retain biological activity and can be used to achieve protein-protein cross-coupling at nanomolar concentrations within hours.

| S-EPMC8048385 | biostudies-literature

Rhodium(I)-Complexes Catalyzed 1,4-Conjugate Addition of Arylzinc Chlorides to N-Boc-4-pyridone.

Project description:Rhodium(I)-complexes catalyzed the 1,4-conjugate addition of arylzinc chlorides to N-Boc-4-pyridone in the presence of chlorotrimethylsilane (TMSCl). A combination of [RhCl(C₂H₄)₂]₂ and BINAP was determined to be the most effective catalyst to promote the 1,4-conjugate addition reactions of arylzinc chlorides to N-Boc-4-pyridone. A broad scope of arylzinc reagents with both electron-withdrawing and electron-donating substituents on the aromatic ring successfully underwent 1,4-conjugate addition to N-Boc-4-pyridone to afford versatile 1,4-adducts 2-substituted-2,3-dihydropyridones in good to excellent yields (up to 91%) and excellent ee (up to 96%) when (S)-BINAP was used as chiral ligand.

| S-EPMC6154701 | biostudies-literature

Palladium Oxidative Addition Complexes for Peptide and Protein Cross-linking.

Project description:A new method for cysteine-lysine cross-linking in peptides and proteins using palladium oxidative addition complexes is presented. First, a biarylphosphine-supported palladium reagent is used to transfer an aryl group bearing an O-phenyl carbamate substituent to a cysteine residue. Next, this carbamate undergoes chemoselective acyl substitution by a proximal lysine to form a cross-link. The linkage so formed is stable toward acid, base, oxygen, and external thiol nucleophiles. This method was applied to cross-link cysteine with nearby lysines in sortase A*. Furthermore, we used this method for the intermolecular cross-linking between a peptide and a protein based on the p53-MDM2 interaction. These studies demonstrate the potential for palladium-mediated methods to serve as a platform for the development of future cross-linking techniques for peptides and proteins with natural amino acid residues.

| S-EPMC5831526 | biostudies-literature

Polypyridine OsII complexes electrochemical data.

Project description:The data presented in this article are relevant to the research article, "Electrochemistry of Os bipyridyl and phenanthroline complexes, comparison with Ru and Fe" (van der Westhuizen, 2020). Cyclic voltammograms illustrating OsII/III oxidations of eight osmium(II) complexes are presented in this article. The data were obtained under similar experimental conditions, at scan rates with magnitudes ranging from 0.05 V.s-1 to 10.00 V.s-1, in acetonitrile as solvent and tetrabutylammonium hexafluorophosphate as supporting electrolyte. Potentials are reported versus the iron(II) redox couple in ferrocene.

| S-EPMC7642827 | biostudies-literature

Oxidative Addition of a Mechanically Entrapped C(sp)-C(sp) Bond to a Rhodium(I) Pincer Complex.

Project description:By use of a macrocyclic phosphinite pincer ligand and bulky substrate substituents, we demonstrate how the mechanical bond can be leveraged to promote the oxidative addition of an interlocked 1,3-diyne to a rhodium(I) center. The resulting rhodium(III) bis(alkynyl) product can be trapped out by reaction with carbon monoxide or intercepted through irreversible reaction with dihydrogen, resulting in selective hydrogenolysis of the C-C σ-bond.

| S-EPMC7756736 | biostudies-literature

A Ligand Exchange Process for the Diversification of Palladium Oxidative Addition Complexes.

Project description:Palladium oxidative addition complexes (OACs) have recently emerged as useful tools to enable challenging bond connections. However, each OAC can only be formed with one dative ligand at a time. As no one ligand is optimal for every cross-coupling reaction, we herein disclose a ligand exchange protocol for the preparation of a series of OACs bearing a variety of ancillary ligands from one common complex. These complexes were further applied to cross-coupling transformations.

| S-EPMC8437034 | biostudies-literature

Cyclic voltammograms and electrochemical data of FeII polypyridine complexes.

Project description:Data in this article is associated with our research article, Electronic Properties of Fe Charge Transfer Complexes - a Combined Experimental and Theoretical Approach [1]. The oxidation and reduction potentials of fourteen FeII complexes are presented here, as extracted from the redox data obtained from its associated cyclic voltammograms, which were measured at scan rates varying from 0.05 V.s-1 to 5.00 V.s-1, under similar experimental conditions. Acetonitrile was used as solvent, and tetrabutylammonium hexafluorophosphate as supporting electrolyte. All data are reported versus the FeII redox couple in ferrocene.

| S-EPMC7262554 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data