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- W4289653585 abstract "The two isostructural one-dimensional coordination polymers (1D CPs) [Cu(5-nip)(3-Clpy)2]n (1) and [Cu(5-nip)(3-Brpy)2]n (2) have been synthesized using a 5-nitroisophthalic acid (H25-nip) linker and the meta-substituted 3-chloropyridine (3-Clpy)/3-bromopyridine (3-Brpy) auxiliary ligands. The structural architectures and supramolecular interactions of the CPs have been investigated by single-crystal X-ray diffraction (SCXRD) and density functional theory (DFT) studies, respectively. The SCXRD study reveals that CPs 1 and 2 form a 1D double-chain structure with carboxylato-bridged cyclic secondary building units (SBUs). Interestingly, both CPs involve type I halogen···halogen (X···X) interactions combined with π···π stacking interactions to generate a three-dimensional (3D) supramolecular network. Moreover, both CPs exhibit interesting X···N π-hole interactions involving a nitro group as the electron acceptor. Both CPs show electrical conductivity in the semiconducting regime and behave as Schottky diodes. However, CP 1 has a higher electrical conductivity in comparison to CP 2." @default.
- W4289653585 created "2022-08-03" @default.
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- W4289653585 date "2022-08-03" @default.
- W4289653585 modified "2023-10-03" @default.
- W4289653585 title "Halogen···Halogen and π–Hole Interactions in Supramolecular Aggregates and Electrical Conductivity Properties of Cu(II)-Based 1D Coordination Polymers" @default.
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- W4289653585 doi "https://doi.org/10.1021/acs.cgd.2c00193" @default.
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