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 |
| Volume of the journal: | 231 |
| Issue 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 |
| URL / URN: | 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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