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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 (2017)
³¹P-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts.
In: Zeitschrift für Physikalische Chemie, 231 (3)
doi: 10.1515/zpch-2016-0837
Artikel, Bibliographie

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Kurzbeschreibung (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.

Typ des Eintrags: Artikel
Erschienen: 2017
Autor(en): Gutmann, Torsten ; Alkhagani, Safaa ; Rothermel, Niels ; Limbach, Hans-Heinrich ; Breitzke, Hergen ; Buntkowsky, Gerd
Art des Eintrags: Bibliographie
Titel: ³¹P-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts
Sprache: Englisch
Publikationsjahr: 2017
Verlag: De Gruyter
Titel der Zeitschrift, Zeitung oder Schriftenreihe: Zeitschrift für Physikalische Chemie
Jahrgang/Volume einer Zeitschrift: 231
(Heft-)Nummer: 3
DOI: 10.1515/zpch-2016-0837
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Kurzbeschreibung (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.

Zusätzliche Informationen:

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

Sachgruppe der Dewey Dezimalklassifikatin (DDC): 500 Naturwissenschaften und Mathematik > 540 Chemie
Fachbereich(e)/-gebiet(e): 07 Fachbereich Chemie
07 Fachbereich Chemie > Eduard Zintl-Institut
07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie
Hinterlegungsdatum: 02 Aug 2024 12:37
Letzte Änderung: 02 Aug 2024 12:37
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