Abstract

Squaric acid directed the metal-organic Pd n L 2n macrocycles transforming into a more stable Pd 4 L 8 square. This host-guest complex was characterized by NMR, ESI-TOF-MS, and X-ray crystallography. Multiple weak interactions, including electrostatic and hydrogen-bonding interactions, and the perfectly matched shape and size between the Pd 4 L 8 square and squarate dianion well stabilized this host-guest complex, revealing the templating-effect of guest is crucial in supermolecular self-assembly. The stability of the Pd n L 2n macrocycles under acidic conditions paves the way for their further applications in organic catalysis. • Squaric acid directed the metal-organic macrocycles transformation. • Templating-effect of guest is crucial in supermolecular self-assembly. • Stability of macrocycles under acidic conditions paves the way for catalysis.

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