ChemInform Abstract (determination of metal-ligand bond disruption enthalpies).

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The complex Cp'2Zr(C6Hs)2 (1, Cp' = 7j5-Me5C5) undergoes unimolecular thermolysis in solution ( * = 22.5 (3) kcal/mol, AS* = -11.8 (3) eu) to yield the ring-metalated complex Cp'Zr(C6H6) (Me4C5CH2) (2) and benzene. Complex 2 crystallizes in the monoclinic space group P2j/c with four molecules in a unit cell of dimensions o = 13.550 (2) Á, b = 9.651 (2) Á, c = 17.613 (3) A, and ß = 94.94 (1)°a t 0 °C. Least-squares refinement led to a value for the conventional R index (on F) of 0.043 for 2594 reflections having 2 < 55°and I > 3 ( )• The molecular structure of 2 consists of 7?6-Cp' and 7?6-Me4C5CH2 ligands in a distorted "bent sandwich" Cp'2ZrX2 configuration (/ring centroid-Zr-ring centroid = 143.6 (3)°) with the X groups being an unexceptional phenyl ligand (Zr-C = 2.285 (5) A) and a metalated cyclopentadienyl methyl group (Zr-C = 2.388 (7) A). The latter carbon atom is displaced 0.88 A (37°) from the C5 mean plane in the direction of the zirconium atom and is bonded to the C6 ring at a C-C distance of 1.468 (9) A. The zirconium atom

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