A novel mixed-valence Cu(I)-Cu(II) coordination polymer with an infinite two-dimensional structure, [Cu3(I)Cu(II)Br3(3,5-Dmpip-dtc)2]n (3,5-Dmpip-dtc(-) = 3,5-dimethylpiperidine dithiocarbamate), was prepared, and its structure was characterized by X-ray diffraction. It shows semiconducting behavior with a relatively small activation energy and high carrier mobility, which were investigated using impedance spectroscopy and flash photolysis time-resolved microwave conductivity measurements, respectively.
A new semiconducting 3D coordination polymer, [CuBr(ttz)] (1), with an acceptor bridging ligand, 1,2,4,5-tetrazine (ttz), was synthesized. The complex shows large absorption bands extending to the near-IR region, indicating a small band gap in the coordination polymer. This complex shows higher conductivity than those of [CuBr(pyz)] (2), including pyrazine (pyz) with a higher lowest unoccupied molecular orbital level. We performed density functional theory band calculations using the VASP program to understand the electronic states and conducting paths of the coordination polymer.
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