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Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity

Naaz, S and Das, P and Khan, S and Dutta, B and Roy, S and Frontera, A and Ray, PP and Mir, MH (2022) Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity. In: Inorganic Chemistry, 61 (49). pp. 19828-19837.

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Official URL: https://doi.org/10.1021/acs.inorgchem.2c02975


Four new Cu(II)-based hexagonal complexes with the metallomacrocycle formulae [Cu6(5-nip)6(3-py)6(H2O)12] (1), [Cu6(5-nip)6(3-Clpy)6(H2O)12] (2), [Cu6(5-nip)6(3-Brpy)6(H2O)12] (3), and [Cu6(5-nip)6(3-Ipy)6(H2O)12] (4) have been synthesized using 5-nitroisophthalic acid (H25-nip) and pyridine (py)/3-halopyridine (3-Xpy; X = Cl, Br, and I) ligands. The structural features and supramolecular interactions of compounds 1-4 have been investigated using the single-crystal X-ray diffraction (SCXRD) technique. Interestingly, the hexagonal complexes undergo hydrogen bonding and ···πstacking interactions to form fascinating two-dimensional (2D) honeycomb-like structures. The synthesized complexes exhibit high electrical conductivity, arising from charge transport through space via ···πcontacts. However, complexes containing 3-Brpy (3) and 3-Ipy (4) exhibit photosensitivity due to the presence of halogens with a larger size and lower ionization energy. The conductivity results are also in accordance with the theoretical prediction calculated by density functional theory (DFT) study. © 2022 American Chemical Society. All rights reserved.

Item Type: Journal Article
Publication: Inorganic Chemistry
Publisher: American Chemical Society
Additional Information: The copyright for this article belongs to American Chemical Society.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 16 Jan 2023 06:13
Last Modified: 16 Jan 2023 06:13
URI: https://eprints.iisc.ac.in/id/eprint/79165

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