Chemical Structure from Scientific Research

Bidentate coordination of L BB1 to PdCl 2 leads to cc-Cope rearrangement in which the Pd walks along the side of the BB cage, modulating the rearrangement rate. For comparison, monodentate ligand coordination is observed with AuCl. Reagents and conditions: (i) L BB1 , PdCl 2 (NCMe) 2 , CDCl 3 , r.t., 15 min, 98%. (ii) L BB1 , Me 2 S·AuCl, CDCl 3 , r.t., 10 min, 93%. X-ray crystal structures are shown in stick representation, with a ball for metal ions. Solvent molecules are omitted for clarity. Two structurally similar conformers of each L BB1 PdCl 2 stereoisomer are present in the unit cell, but only one of each is shown for clarity.

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