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Inorganics
Article . 2022 . Peer-reviewed
License: CC BY
Data sources: Crossref
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Inorganics
Article . 2022
Data sources: DOAJ
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Structural Study of Model Rhodium(I) Carbonylation Catalysts Activated by Indole-2-/Indoline-2-Carboxylate Bidentate Ligands and Kinetics of Iodomethane Oxidative Addition

Authors: Mohammed A. E. Elmakki; Orbett Teboho Alexander; Gertruida J. S. Venter; Johan Andries Venter; Andreas Roodt;

Structural Study of Model Rhodium(I) Carbonylation Catalysts Activated by Indole-2-/Indoline-2-Carboxylate Bidentate Ligands and Kinetics of Iodomethane Oxidative Addition

Abstract

The rigid-backbone bidentate ligands Indoline-2-carboxylic acid (IndoliH) and Indole-2-carboxylic acid (IndolH) were evaluated for rhodium(I). IndoliH formed [Rh(Indoli)(CO)(PPh3)] (A2), while IndolH yielded the novel dinuclear [Rh1(Indol’)(CO)(PPh3)Rh2(CO)(PPh3)2] (B2) complex (Indol’ = Indol2−), which were characterized by SCXRD. In B2, the Rh1(I) fragment [Rh1(Indol’)(CO)(PPh3)] (bidentate N,O-Indol) exhibits a square-planar geometry, while Rh2(I) shows a ‘Vaska’-type trans-[O-Rh2(PPh3)2(CO)] configuration (bridging the carboxylate ‘oxo’ O atom of Indol2−). The oxidative addition of MeI to A2 and B2 via time-resolved FT-IR, NMR, and UV/Vis analyses indicated only Rh(III)-alkyl species (A3/B3) as products (no migratory insertion). Variable temperature kinetics confirmed an associative mechanism for A2 via an equilibrium-based pathway (ΔH≠ = (21 ± 1) kJ mol−1; ΔS≠ = (−209 ± 4) J K−1mol−1), with a smaller contribution from a reverse reductive elimination/solvent pathway. The dinuclear complex B2 showed the oxidative addition of MeI only at Rh1(I), which formed a Rh(III)-alkyl, but cleaved the bridged Rh2(I) site, yielding trans-[RhI(PPh3)2(I)(CO)] (5B) as a secondary product. A significantly smaller negative activation entropy [ΔH≠ = (73.0 ± 1.2) kJ mol−1; ΔS≠ = (−21 ± 4) J K−1mol−1] via a more complex/potential interchange mechanism (the contribution of ΔS≠ to the Gibbs free energy of activation, ΔG≠, only ±10%) was inferred, contrary to the entropy-driven oxidative addition of MeI to A2 (the contribution of ΔS≠ to ΔG≠ ± 75%).

Keywords

crystal structures, kinetics, oxidative addition, rhodium, Indole-2-carboxylate, dinuclear complex, Indoline-2-carboxylate, Inorganic chemistry, iodomethane, QD146-197

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
4
Top 10%
Average
Top 10%
gold