New MONET Publication in Inorg Chem

A team from the Kulik lab reports the computational discovery of a new class of Cu2+ complex mechanophores comprising two tridentate scorpionate ligands that reversibly switch from octahedral to square-planar coordination under mechanical load. This work establishes coordination switching as a useful design strategy for mechanophores and demonstrates how high-throughput ab initio screening and ML can enable data-driven discovery of force-responsive polymer building blocks.

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