Chemical Physics Letters, Vol.319, No.3-4, 423-426, 2000
Variable-temperature diffraction study of the barrier to rotation and zero-point motion in bis(eta(6)-benzene) chromium
The mean squared displacements of the eta(6)-benzene ring in Cr(C6D6)(2) have been determined at. 10 temperatures; extrapolation of these displacements gives a zero-point energy of 0.89 kJ mol(-1). The individual barriers to rotation corresponding to these displacements have been determined and decrease with increasing temperature in accord with expansion of the material.