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³¹P-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts

Gutmann, Torsten ; Alkhagani, Safaa ; Rothermel, Niels ; Limbach, Hans-Heinrich ; Breitzke, Hergen ; Buntkowsky, Gerd (2021)
³¹P-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts.
In: Zeitschrift für Physikalische Chemie, 231 (3)
doi: 10.26083/tuprints-00019695
Article, Secondary publication, Publisher's Version

Abstract

The synthesis of novel robust and stable iridium-based immobilized catalysts on silica-polymer hybrid materials (Si-PB-Ir) is described. These catalysts are characterized by a combination of ¹D ³¹P CP-MAS and 2D ³¹P-¹H HETCOR and J-resolved multinuclear solid state NMR experiments. Different binding situations such as singly and multiply coordinated phosphines are identified. Density functional theory (DFT) calculations are performed to corroborate the interpretation of the experimental NMR data, in order to propose a structural model of the heterogenized catalysts. Finally, the catalytic activity of the Si-PB-Ir catalysts is investigated for the hydrogenation of styrene employing para-enriched hydrogen gas.

Item Type: Article
Erschienen: 2021
Creators: Gutmann, Torsten ; Alkhagani, Safaa ; Rothermel, Niels ; Limbach, Hans-Heinrich ; Breitzke, Hergen ; Buntkowsky, Gerd
Type of entry: Secondary publication
Title: ³¹P-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts
Language: English
Date: 2021
Publisher: De Gruyter
Journal or Publication Title: Zeitschrift für Physikalische Chemie
Volume of the journal: 231
Issue Number: 3
DOI: 10.26083/tuprints-00019695
URL / URN: https://tuprints.ulb.tu-darmstadt.de/19695
Corresponding Links:
Origin: Secondary publication service
Abstract:

The synthesis of novel robust and stable iridium-based immobilized catalysts on silica-polymer hybrid materials (Si-PB-Ir) is described. These catalysts are characterized by a combination of ¹D ³¹P CP-MAS and 2D ³¹P-¹H HETCOR and J-resolved multinuclear solid state NMR experiments. Different binding situations such as singly and multiply coordinated phosphines are identified. Density functional theory (DFT) calculations are performed to corroborate the interpretation of the experimental NMR data, in order to propose a structural model of the heterogenized catalysts. Finally, the catalytic activity of the Si-PB-Ir catalysts is investigated for the hydrogenation of styrene employing para-enriched hydrogen gas.

Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-196958
Additional Information:

Keywords: DFT; heterogeneous catalysis; hydrogenation; iridium; PHIP; solid-state-NMR

Classification DDC: 500 Science and mathematics > 540 Chemistry
Divisions: 07 Department of Chemistry
07 Department of Chemistry > Eduard Zintl-Institut > Physical Chemistry
Date Deposited: 01 Oct 2021 11:36
Last Modified: 04 Oct 2021 06:04
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