Facey, G. ; Gusev, D. ; Morris, R. H. ; Macholl, S. ; Buntkowsky, G. (2000)
H-2 MAS NMR of strongly dipolar coupled deuterium pairs in transition metal dihydrides: extracting dipolar coupling and quadrupolar tensor orientations from the lineshape of spinning sidebands.
In: Physical Chemistry Chemical Physics, 2 (5)
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
A selectively D-2 labeled transition metal dihydride, Os(D-2)(Cl)(2)(CO)((PPr3)-Pr-i)(2), was synthesized and studied by H-2 magic angle spinning (MAS) NMR spectroscopy. It was found that the interference between the quadrupolar and homonuclear dipolar interaction results in a characteristic lineshape of the MAS sidebands. The basic properties of the interference of homonuclear dipolar and quadrupolar coupling on the H-2 NMR lineshape were elucidated, using average Hamiltonian theory, and exact simulations of the experiments were achieved by stepwise integration of the equation of motion of the density matrix. These simulations show that it is possible to determine the size of the dipolar interaction and thus the D-D distance from the lineshape of the sidebands.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2000 |
| Autor(en): | Facey, G. ; Gusev, D. ; Morris, R. H. ; Macholl, S. ; Buntkowsky, G. |
| Art des Eintrags: | Bibliographie |
| Titel: | H-2 MAS NMR of strongly dipolar coupled deuterium pairs in transition metal dihydrides: extracting dipolar coupling and quadrupolar tensor orientations from the lineshape of spinning sidebands |
| Sprache: | Englisch |
| Publikationsjahr: | 2000 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Physical Chemistry Chemical Physics |
| Jahrgang/Volume einer Zeitschrift: | 2 |
| (Heft-)Nummer: | 5 |
| URL / URN: | http://apps.webofknowledge.com/full_record.do?product=WOS&se... |
| Kurzbeschreibung (Abstract): | A selectively D-2 labeled transition metal dihydride, Os(D-2)(Cl)(2)(CO)((PPr3)-Pr-i)(2), was synthesized and studied by H-2 magic angle spinning (MAS) NMR spectroscopy. It was found that the interference between the quadrupolar and homonuclear dipolar interaction results in a characteristic lineshape of the MAS sidebands. The basic properties of the interference of homonuclear dipolar and quadrupolar coupling on the H-2 NMR lineshape were elucidated, using average Hamiltonian theory, and exact simulations of the experiments were achieved by stepwise integration of the equation of motion of the density matrix. These simulations show that it is possible to determine the size of the dipolar interaction and thus the D-D distance from the lineshape of the sidebands. |
| Freie Schlagworte: | nuclear-magnetic-resonance quantum-mechanical exchange dihydrogen complexes rotating solids molecular-hydrogen crystal-structure ligand spectroscopy hydride homonuclear |
| Zusätzliche Informationen: | 285HB Times Cited:26 Cited References Count:78 |
| Fachbereich(e)/-gebiet(e): | 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie |
| Hinterlegungsdatum: | 27 Okt 2014 20:39 |
| Letzte Änderung: | 28 Mai 2019 11:13 |
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