Notes. Dynamic processes in the solid state. X-Ray structural characterization and dynamic behaviour of [Mo(C6H5Me)(CO)3]

Abstract

The structure of [Mo(C₆H₅Me)(CO)₃] has been determined by single-crystal X-ray diffractometry. The complex shows a staggered orientation of the tricarbonyl group with respect to the arene atoms, differing from [Cr(C₆H₅Me)(CO)₃] where the tricarbonyl group is eclipsed. The dynamic behaviour evidenced by ¹³C cross-polarization magic angle spinning n.m.r. spectroscopy in the solid state is explored by means of atom–atom pairwise potential-energy calculations and thermal motion analysis.