Quantum Mechanical and Experimental Validation that Cyclobis(paraquat-p-phenylene) Forms a 1:1 Inclusion Complex with Tetrathiafulvalene

The promiscuous encapsulation of π‐electron‐rich guests by the π‐electron‐deficient host, cyclobis(paraquat‐p‐phenylene) (CBPQT4+), involves the formation of 1:1 inclusion complexes. One of the most intensely investigated charge‐transfer (CT) bands, assumed to result from inclusion of a guest molecu...

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