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Issue 42, 2016
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Synthesis, structure and characterization of neutral coordination polymers of 5,5′-bistetrazole with copper(II), zinc(II) and cadmium(II): a new route to reconcile oxygen balance and nitrogen content of high-energy MOFs

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Abstract

Hydrothermal reactions of Cu(II)/Zn(II)/Cd(II) with 5,5′-bistetrazole (H2BT) lead to three new energetic coordination polymers: [CuBT(H2O)]n (1), [ZnBT(H2O)2]n (2), and [CdBT(H2O)2]n (3). These crystal structures were determined by single X-ray diffraction. Compound 1 forms regular and compact 3-D frameworks and compounds 2–3 are 1-D chain structures. These compounds show prominent thermostability (Tdec = 349.1 °C for 1, 334.8 °C for 2, and 394.2 °C for 3) investigated by using differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Sensitivities towards impact and friction were measured. Compound 1 is sensitive to both impact and friction (100% explosion under the test conditions), while compounds 2–3 are sensitive to neither (0% explosion under the test conditions). The heats of detonation (ΔHdet) of 1–3 were calculated based on density functional theory (DFT). Compound 1 possesses the highest calculated ΔHdet (26.7267 kJ g−1) among the reported energetic MOFs. Moreover, compared with the reported energetic MOFs, compound 1 also has a good balance of high nitrogen content (51.46%) and high oxygen balance (−36.76%) as well as a very high crystal density of 2.505 g cm−3.

Graphical abstract: Synthesis, structure and characterization of neutral coordination polymers of 5,5′-bistetrazole with copper(ii), zinc(ii) and cadmium(ii): a new route to reconcile oxygen balance and nitrogen content of high-energy MOFs

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Publication details

The article was received on 31 May 2016, accepted on 28 Sep 2016 and first published on 28 Sep 2016


Article type: Communication
DOI: 10.1039/C6DT02168A
Citation: Dalton Trans., 2016,45, 16779-16783
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    Synthesis, structure and characterization of neutral coordination polymers of 5,5′-bistetrazole with copper(II), zinc(II) and cadmium(II): a new route to reconcile oxygen balance and nitrogen content of high-energy MOFs

    S. Chen, B. Zhang, L. Yang, L. Wang and T. Zhang, Dalton Trans., 2016, 45, 16779
    DOI: 10.1039/C6DT02168A

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