Sack, I. ; Macholl, S. ; Fuhrhop, J. H. ; Buntkowsky, G. (2000)
Conformational studies of polymorphic N-octyl-D-gluconamide with N-15 (labeled) C-13 (natural abundance) REDOR spectroscopy.
In: Physical Chemistry Chemical Physics, 2 (8)
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
Magnetic dipolar couplings between the N-15 atom (labeled) and neighboring C-13 atoms (natural abundance) in three solid modifications of N-octyl-d-gluconamide are measured with rotational echo double resonance (REDOR). A unique spectral assignment of C-13 resonances is possible by means of their dipolar dephasing. While in the monolayer crystal and in the fiber modification the assignment is amenable to the solution spectra, in the bilayer crystallites a different assignment is found. The dipolar couplings in the range 45 to 1220 Hz are converted into CN distances. These distances are employed in conjunction with the C-13 chemical shieldings of the CP-MAS spectra to determine sets of possible torsion angles, which define the molecular conformation in the neighborhood of the amide group. In contrast to the monolayer crystal, for the fiber and bilayer crystallite modifications a gauche bend at the C2-C3 bond is found, giving the molecules the shape of a (2)G sickle.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2000 |
| Autor(en): | Sack, I. ; Macholl, S. ; Fuhrhop, J. H. ; Buntkowsky, G. |
| Art des Eintrags: | Bibliographie |
| Titel: | Conformational studies of polymorphic N-octyl-D-gluconamide with N-15 (labeled) C-13 (natural abundance) REDOR spectroscopy |
| Sprache: | Englisch |
| Publikationsjahr: | 2000 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Physical Chemistry Chemical Physics |
| Jahrgang/Volume einer Zeitschrift: | 2 |
| (Heft-)Nummer: | 8 |
| URL / URN: | http://apps.webofknowledge.com/full_record.do?product=WOS&se... |
| Kurzbeschreibung (Abstract): | Magnetic dipolar couplings between the N-15 atom (labeled) and neighboring C-13 atoms (natural abundance) in three solid modifications of N-octyl-d-gluconamide are measured with rotational echo double resonance (REDOR). A unique spectral assignment of C-13 resonances is possible by means of their dipolar dephasing. While in the monolayer crystal and in the fiber modification the assignment is amenable to the solution spectra, in the bilayer crystallites a different assignment is found. The dipolar couplings in the range 45 to 1220 Hz are converted into CN distances. These distances are employed in conjunction with the C-13 chemical shieldings of the CP-MAS spectra to determine sets of possible torsion angles, which define the molecular conformation in the neighborhood of the amide group. In contrast to the monolayer crystal, for the fiber and bilayer crystallite modifications a gauche bend at the C2-C3 bond is found, giving the molecules the shape of a (2)G sickle. |
| Freie Schlagworte: | double-resonance nmr echo double-resonance rotational-echo amphiphilic properties amide linkages |
| Zusätzliche Informationen: | 302QH Times Cited:17 Cited References Count:30 |
| Fachbereich(e)/-gebiet(e): | 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie |
| Hinterlegungsdatum: | 27 Okt 2014 20:48 |
| Letzte Änderung: | 29 Mai 2019 12:18 |
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