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13C Anisotropic chemical shift in a single crystal of benzophenone

MPS-Authors
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Kempf,  J.
Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society;

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Spiess,  Hans W.
Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society;

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Haeberlen,  Ulrich
Research Group Prof. Dr. Haeberlen, Max Planck Institute for Medical Research, Max Planck Society;

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Zimmermann,  Herbert
Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society;
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;
Zimmermann Group, Max Planck Institute for Medical Research, Max Planck Society;
Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society;

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Citation

Kempf, J., Spiess, H. W., Haeberlen, U., & Zimmermann, H. (1972). 13C Anisotropic chemical shift in a single crystal of benzophenone. Chemical Physics Letters, 17(1), 39-42. doi:10.1016/0009-2614(72)80318-X.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-B19F-A
Abstract
The 13C resonance of the carbonyl carbon in a single crystal of benzophenone was studied by Fourier transform NMR at room temperature. Rotation patterns about the three cyrstallographic axes yielded the orientations of the major axis systems of the chemical shift tensor σ relative to the crystallographic axes for the four molecules in the unit cell. The principal elements of σ were found to be: σxx = −79 ± 4, σyy = −36 ± 4, and σzz = +94 ± 4 ppm , relative to CS2. The Z axis of the nearly axially symmetric σ tensor was found to be perpendicular to the plane spanned by the carbonyl carbon and the carbon and oxygen atoms directly bound to it.