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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.
