X-ray diffraction study of choline chloride's. beta. form
The organic salt choline chloride exists in two crystalline polymorphs. One (the ..cap alpha.. form) is extraordinarily sensitive to ionizing radiation, the other (the ..beta.. form) is not. The present report describes an x-ray diffraction study of the ..beta.. form. The structure has been found to be highly disordered face centered cubic. A reasonable least-square refinement of the intensity data has been achieved in the centrosymmetric space group Fm3 or Fm3m by use of a molecular model with restrained bond lengths. The results show that in the ..beta.. form the electronic density due to the choline cation is closely spaced around the N, so that hydrogen bonding to the chloride is unlikely. Comparison with infrared and NMR data indicates that the disordering is dynamic and can be ascribed to rotations of the choline ion around crystallographic symmetry axes. Possible connections of these results with the radiation stability of the ..beta.. form are discussed.
- Research Organization:
- Laboratory of Chemical Biodynamics, Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720
- OSTI ID:
- 5201108
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 68:5; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360602* -- Other Materials-- Structure & Phase Studies
ALCOHOLS
AMINES
AMMONIUM COMPOUNDS
CHLORIDES
CHLORINE COMPOUNDS
CHOLINE
COHERENT SCATTERING
CRYSTAL STRUCTURE
DIFFRACTION
HALIDES
HALOGEN COMPOUNDS
HYDROXY COMPOUNDS
LIPOTROPIC FACTORS
ORGANIC COMPOUNDS
QUATERNARY COMPOUNDS
SCATTERING
X-RAY DIFFRACTION