Cluster rearrangement of isonido-ruthenacarboranes [1-(η6-1,4-Me2C6H4)-3(6)-Cl-isonido-1,2,4-RuC2B8H9] under thermal conditions

Thermal reactions of isomeric 11-vertex 3-Cl- and 6-Cl-substituted (π-arene) isonido-ruthenacarboranes both in solution at 85 °C and in a melt at 165 °C have been carried out. The results of X-ray diffraction along with computational studies of the interconversion of isomeric complexes suggested reasonable mechanistic schemes regarding their thermal rearrangements.