An electrically conductive metallocycle: densely packed molecular hexagons with π-stacked radicals

Mengxing Cui, Ryuichi Murase, Yongbing Shen, Tetsu Sato, Shohei Koyama, Kaiji Uchida, Tappei Tanabe, Shinya Takaishi, Masahiro Yamashita, Hiroaki Iguchi

Research output: Contribution to journalArticlepeer-review

Abstract

Electrical conduction among metallocycles has been unexplored because of the difficulty in creating electronic transport pathways. In this work, we present an electrocrystallization strategy for synthesizing an intrinsically electron-conductive metallocycle, [Ni6(NDI-Hpz)6(dma)12(NO3)6]·5DMA·nH2O (PMC-hexagon) (NDI-Hpz = N,N′-di(1H-pyrazol-4-yl)-1,4,5,8-naphthalenetetracarboxdiimide). The hexagonal metallocycle units are assembled into a densely packed ABCABC… sequence (like the fcc geometry) to construct one-dimensional (1D) helical π-stacked columns and 1D pore channels, which were maintained under the liberation of H2O molecules. The NDI cores were partially reduced to form radicals as charge carriers, resulting in a room-temperature conductivity of (1.2-2.1) × 10−4 S cm−1 (pressed pellet), which is superior to that of most NDI-based conductors including metal-organic frameworks and organic crystals. These findings open up the use of metallocycles as building blocks for fabricating conductive porous molecular materials.

Original languageEnglish
Pages (from-to)4902-4908
Number of pages7
JournalChemical Science
Volume13
Issue number17
DOIs
Publication statusPublished - 2022 Apr 1

ASJC Scopus subject areas

  • Chemistry(all)

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