Despite rapid progress in recent years, it has remained challenging to prepare well-defined metal-organic complex-based suprastructures. As a result, the physicochemical mechanisms leading to their geometrical complexity remain perplexing. Here, a porphyrin-based metallacage was used as a building block to construct octahedra via self-assembly, and the mechanism for the evolution of the metallacages into octahedra was disclosed by both experiments and theoretical simulations. Calculations revealed that the formation of octahedra is determined by the difference in formation energy, resulting in anisotropic growth assembly.

中文翻译：

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卟啉基金属螯合物自组装成八面体

尽管近年来取得了快速进展，但制备明确的基于金属有机复合物的上部结构仍然具有挑战性。因此，导致其几何复杂性的物理化学机制仍然令人困惑。在这里，以卟啉为基础的金属熔体被用作构建块，通过自组装构建八面体，并通过实验和理论模拟揭示了金属熔体演化为八面体的机制。计算表明，八面体的形成是由形成能的差异决定的，导致各向异性生长组装。