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


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
Issue number17
Publication statusPublished - 2022 Apr 1

ASJC Scopus subject areas

  • Chemistry(all)


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