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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. (Publisher's Version)
In: Zeitschrift für Physikalische Chemie, 231 (3), pp. 653-669. De Gruyter, ISSN 0942-9352, e-ISSN 2196-7156,
DOI: 10.26083/tuprints-00019695,
[Article]

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
Origin: Secondary publication service
Status: Publisher's Version
Title: ³¹P-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts
Language: English
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.

Journal or Publication Title: Zeitschrift für Physikalische Chemie
Journal volume: 231
Number: 3
Publisher: De Gruyter
Divisions: 07 Department of Chemistry
07 Department of Chemistry > Physical Chemistry
Date Deposited: 01 Oct 2021 11:36
DOI: 10.26083/tuprints-00019695
Official URL: https://tuprints.ulb.tu-darmstadt.de/19695
URN: urn:nbn:de:tuda-tuprints-196958
Additional Information:

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

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