A three-dimensional highly stable Zn(II) coordination polymer based on 1,4-benzeneditetrazolate (H2BDT): Synthesis, crystal structure, and luminescent properties

1,4-benzeneditetrazolate [H2BDT] (1) and its 3D coordination polymer [Zn(BDT)]n (2), have been synthesized and structurally characterized by infrared spectroscopy (IR), thermal gravimetric analysis (TG), and single-crystal/powder X-ray diffraction. The result of the single-crystal X-ray diffraction analysis indicates that 1 is a 3D supramolecular structure stabilized by intermolecular hydrogen bonds and π…π stacking interactions. 2 is a 3D (4,4)-connected coordination polymer with the central metal Zn(II) ions linked together by BDT2− anions. Photoluminescent measurement for 2 in the solid state elucidates that 2 displays a strong photoluminescence at 469 nm, which suggests that 2 may be a potential blue-light material.

Graphical Abstract1,4-benzeneditetrazolate [H2BDT] (1) and a novel 3D coordination polymer [Zn(BDT)]n (2) based on H2BDT, have been synthesized and structurally characterized. The result of the X-ray diffraction indicates that 1 is a 3D supramolecular structure, and 2 is a 3D (4,4)-connected coordination polymer. 2 shows high thermal stability with the decomposed temperature over 400 °C, and displays a strong photoluminescence at 469 nm at room temperature, suggesting that 2 may be a potential blue-light material.Figure optionsDownload full-size imageDownload as PowerPoint slideResearch Highlights►Anion-tuning afforded two different compounds (1, 2). ►2 showed highly thermal stability with the decomposed temperature over 400 °C. ►2 may be a potential blue-light material.