Covalently Linked Porphyrins as One-Dimensional Conductors.

J Phys Chem Lett

Departamento de Física, Universidade Federal de Minas Gerais, Belo Horizonte, MG 31270-901, Brasil.

Published: November 2021

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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Source
http://dx.doi.org/10.1021/acs.jpclett.1c03327DOI Listing

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