Covalently linked porphyrins as one-dimensional conductors
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Universidade Federal de Minas Gerais
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We apply first-principles calculations to address the problem of the formation and characterization of covalently linked porphyrin-like structures. We show that upon pressure a rehybridization process takes place which leads to one- dimensional compounds resembling nanothreads, in which carbon atoms are all 4- fold coordinated. We also show that the resulting nanostructures have metallic character and possess remarkable mechanical properties. Moreover, in the case of porphyrin−metal complexes, we find that the covalently linked structures may be a platform for the stabilization of straight metallic wires.
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Nanofios, Estrutura química, Estrutura molecular
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Nanothread, Phthalocyanine, Chemical structure, Molecular structure, Nitrogen
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https://pubs.acs.org/doi/10.1021/acs.jpclett.1c03327