Gutmann, T. ; Del Rosal, I. ; Chaudret, B. ; Poteau, R. ; Limbach, H. H. ; Buntkowsky, G. (2013)
From Molecular Complexes to Complex Metallic Nanostructures-H-2 Solid-State NMR Studies of Ruthenium-Containing Hydrogenation Catalysts.
In: Chemphyschem, 14 (13)
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
In the last years, the combination of H-2 solid-state NMR techniques with quantum-chemical calculations has evolved into a powerful spectroscopic tool for the characterization of the state of hydrogen on the surfaces of heterogeneous catalysts. In the present minireview, a brief summary of this development is given, in which investigations of the structure and dynamics of hydrogen in molecular complexes, clusters and nanoparticle systems are presented, aimed to understand the reaction mechanisms on the surface of hydrogenation catalysts. The surface state of deuterium/hydrogen is analyzed employing a combination of variable-temperature H-2 static and magic-angle spinning (MAS) solid-state NMR techniques, in which the dominant quadrupolar interactions of deuterium give information on the binding situation and local symmetry of deuterium/hydrogen on molecular species. Using a correlation database from molecular complexes and clusters, the possibility to distinguish between terminal RuD, bridged Ru2D, three-fold Ru3D, and interstitial Ru6D is demonstrated. Combining these results with quantum-chemical density functional theory (DFT) calculations allows the interpretation of H-2 solid-state data of complex real world nanostructures, which yielded new insights into reaction pathways at the molecular level.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2013 |
| Autor(en): | Gutmann, T. ; Del Rosal, I. ; Chaudret, B. ; Poteau, R. ; Limbach, H. H. ; Buntkowsky, G. |
| Art des Eintrags: | Bibliographie |
| Titel: | From Molecular Complexes to Complex Metallic Nanostructures-H-2 Solid-State NMR Studies of Ruthenium-Containing Hydrogenation Catalysts |
| Sprache: | Englisch |
| Publikationsjahr: | 2013 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Chemphyschem |
| Jahrgang/Volume einer Zeitschrift: | 14 |
| (Heft-)Nummer: | 13 |
| URL / URN: | http://apps.webofknowledge.com/full_record.do?product=WOS&se... |
| Kurzbeschreibung (Abstract): | In the last years, the combination of H-2 solid-state NMR techniques with quantum-chemical calculations has evolved into a powerful spectroscopic tool for the characterization of the state of hydrogen on the surfaces of heterogeneous catalysts. In the present minireview, a brief summary of this development is given, in which investigations of the structure and dynamics of hydrogen in molecular complexes, clusters and nanoparticle systems are presented, aimed to understand the reaction mechanisms on the surface of hydrogenation catalysts. The surface state of deuterium/hydrogen is analyzed employing a combination of variable-temperature H-2 static and magic-angle spinning (MAS) solid-state NMR techniques, in which the dominant quadrupolar interactions of deuterium give information on the binding situation and local symmetry of deuterium/hydrogen on molecular species. Using a correlation database from molecular complexes and clusters, the possibility to distinguish between terminal RuD, bridged Ru2D, three-fold Ru3D, and interstitial Ru6D is demonstrated. Combining these results with quantum-chemical density functional theory (DFT) calculations allows the interpretation of H-2 solid-state data of complex real world nanostructures, which yielded new insights into reaction pathways at the molecular level. |
| Freie Schlagworte: | solid-state nmr catalysis density functional theory nanoparticles transition metal complexes parahydrogen-induced polarization fischer-tropsch synthesis x-ray-structure dihydrogen complexes h-2 nmr surface reactivity immobilized catalysts quantum dynamics spin conversion mas nmr |
| Zusätzliche Informationen: | Sp. Iss. SI 216WE Times Cited:4 Cited References Count:111 |
| Fachbereich(e)/-gebiet(e): | 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie |
| Hinterlegungsdatum: | 27 Okt 2014 20:40 |
| Letzte Änderung: | 13 Sep 2021 10:25 |
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