Rotational oscillations of molecules

Cruickshank DWJ (1956) Errors in bond lengths due to rotational oscillations of molecules. Acta Cryst 9 757-758... 

In the mid 1950s Durwaxd W. J. Cruickshank " noted that atoms in, for example, a rotating molecule, are displaced towards the rotation axis. Rotational oscillations of molecules, such as found in crystalline benzene near its melting point, will cause an apparent displacement of atomic positions from their true positions because the best fit to the electron density should be curvilinear but, with the limitations of present-day techniques, is generally linear (Figure 13.15). If the root-mean-square amplitude of libration about an axis is o> (in radians), then the apparent (but not real) shortening of the bond, d, is ... 

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See also in sourсe #XX -- [ ]

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