Fig. 5: Structural models for HKUST-1 and key reaction steps. | Nature Communications

Fig. 5: Structural models for HKUST-1 and key reaction steps.

From: Nanoscale chemical reaction exploration with a quantum magnifying glass

Fig. 5

A HKUST-1 unit cell; (B) tetracarboxylate secondary building unit of a HKUST-1 analog featuring a rhodium-(II)-copper-(II) bimetallic node; (C) the corresponding extended fragment employed for exploration; and (D) the proposed catalytic cycle88 at the rhodium-copper active site for the hydrogenation of propylene.

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