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  Geometry and tunneling dynamics of CHD2 groups in aspirin: A single-crystal deuteron nuclear magnetic resonance study

Detken, A., & Zimmermann, H. (1998). Geometry and tunneling dynamics of CHD2 groups in aspirin: A single-crystal deuteron nuclear magnetic resonance study. The Journal of Chemical Physics, 109(16), 6791-6799. doi:10.1063/1.477325.

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Alternativer Titel : Geometry and tunneling dynamics of CHD2 groups in aspirin: A single-crystal deuteron nuclear magnetic resonance study

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JChemPhys_109_1998_6791.pdf (beliebiger Volltext), 197KB
 
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 Urheber:
Detken, Andreas1, Autor           
Zimmermann, Herbert2, Autor           
Affiliations:
1Emeritus Group Bioorganic Chemistry, Max Planck Institute for Medical Research, Max Planck Society, ou_1497711              
2Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497712              

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 Zusammenfassung: CHD2 groups in aspirin are studied by single-crystal deuteron NMR at temperatures between 7 and 290 K. They perform stochastic reorientations which are governed by a rotational potential possessing three wells, two of which are almost equally deep whereas the third is significantly higher. The three minima of the rotational potential are separated by angles substantially different from 120°. Still, at least in the two lower wells, the geometry of the CHD2 groups is close to that of a symmetric rotor. By selective magnetization transfer experiments, the incoherent tunneling rate between the two lower potential wells is determined. At temperatures below 15 K, Raman processes are the dominating rotor-phonon coupling mechanism, while at higher temperatures, thermally activated processes with activation energies close to the total potential height prevail.

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Sprache(n): eng - English
 Datum: 1998-04-211998-07-201998-10-22
 Publikationsstatus: Erschienen
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 Art der Begutachtung: Expertenbegutachtung
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Titel: The Journal of Chemical Physics
  Andere : J. Chem. Phys.
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: Woodbury, N.Y. : American Institute of Physics
Seiten: - Band / Heft: 109 (16) Artikelnummer: - Start- / Endseite: 6791 - 6799 Identifikator: ISSN: 0021-9606
CoNE: https://pure.mpg.de/cone/journals/resource/954922836226