Covalently Linked Porphyrins as One-Dimensional Conductors.

Vasconcelos, Samuel M; Neme, Natália P; Mazzoni, Mario S C

Vasconcelos, Samuel M; Neme, Natália P; Mazzoni, Mario S C.

Afiliação

Vasconcelos SM; Departamento de Física, Universidade Federal de Minas Gerais, Belo Horizonte, MG 31270-901, Brasil.
Neme NP; Zernike Institute for Advanced Materials and Stratingh Institute for Chemistry, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands.
Mazzoni MSC; Departamento de Física, Universidade Federal de Minas Gerais, Belo Horizonte, MG 31270-901, Brasil.

J Phys Chem Lett ; 12(44): 10788-10792, 2021 Nov 11.

Article em En | MEDLINE | ID: mdl-34723559

RESUMO

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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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem Lett Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Brasil País de publicação: Estados Unidos

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