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13C cross-polarization/magic angle spinning and 2H NMR studies of the structure and dynamics of the (deoxycholic acid)2–ferrocene inclusion compound

✍ Scribed by Stephen J. Heyes; Christopher M. Dobson

Publisher
John Wiley and Sons
Year
1990
Tongue
English
Weight
1021 KB
Volume
28
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

The channel‐type inclusion complex, (deoxycholic acid)~2~–ferrocene [(DCA)~2~–;ferrocene], was studied by ^13^C cross‐polarization/magic angle spinning NMR spectroscopy. The spectra indicate that two different DCA molecules are present in the crystalline structure. Relaxation data indicate a relatively restricted degree of reorientational freedom of the included ferrocene molecules. ^2^H NMR spectra of the inclusion complex with perdeuterated ferrocene reveal rapid, anisotropic librations of the principal axes of the ferrocene molecules about their mean positions, varying from <ca. ± 1° at 160 K to ca. ± 28° at 350 K. The anisotropic, librational nature of this molecular reorientation may be rationalized in terms of the packing features of the sheet‐like nature of the structures of such deoxycholic acid compounds.

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