Complexation of Pyrene in Aqueous Solution with a Self-Assembled Palladium Metallocycle

A bidentate ligand based on N-monoaryl 4,4′-bipyridinium undergoes self-assembly to dinuclear rectangular metallocycles upon coordination to palladium(II) and platinum(II) centers. These metallocycles form a very stable complex with pyrene in aqueous solution and in the solid state. A crystal structure of the pyrene inclusion complex is presented. The association constants between pyrene and metallocycle 3a in organic solvents and water (Ka = 2.3 × 106) were determined.

一种基于N-单芳基4,4'-联吡啶鎓（N-monoaryl 4,4′-bipyridinium）的双齿配体（bidentate ligand），与钯(II)（palladium(II)）及铂(II)（platinum(II)）中心配位后可自组装形成双核矩形金属环（dinuclear rectangular metallocycles）。此类金属环在水溶液与固态环境中，均可与芘（pyrene）形成稳定性极佳的配合物。本文报道了该芘包合配合物的晶体结构。此外，测定了有机溶剂及水中金属环3a与芘之间的结合常数（association constant），其Ka值为2.3 × 10⁶。