It is the current development trend to contribute green highenergy coordination polymers (CPs) with light metal to realize effective energy density. In this study, self-assembly of a ligand 3-(tetrazol-5-yl)triazole (H 2 tztr) with the light metal Li produces Li−CP [Li 2 (Htztr) 2 (H 2 O) 4 ] (1a). Further structure recombination generates the polymorph (1b) in the presence of HNO 3, which displays better detonation performance. Nevertheless, the detonation performance is affected by multiple water molecules, which may take some energy away because they evaporate at lower temperatures. Hence, we selected K(I) with the larger radius to replace Li(I), expecting that more ligands participate in coordination, which not only increases energetic units but also avoids a large amount of coordinated H 2 O molecules. Compound [K(Htztr)(H 2 O)] n (2) with a two-dimensional structure was prepared by facile synthesis, which effectively reduces coordinated H 2 O molecules. Particularly, 2 possesses outstanding detonation performance with excellent thermostability and low sensitivity (T dec = 325 °C, ΔH det = 4.255 kcal•g −1 , D = 9.742 km•s −1 , and P = 42.659 GPa) among reported energetic CPs. This finding demonstrates a systemic study about calculations of detonation properties and offers an efficient approach to enhancing detonation performance by light metals as nodes to construct ECPs with one-step release of energy.

Two nine-coordinated Dy2 compounds (1 and 2) were obtained on the basis of isomeric ligands. Magnetic studies revealed that compound 2 possesses higher Ueff in nine-coordinated Dy2 compounds.

Two microporous metal-organic frameworks, [Zn 2 (HDDCBA)]·2DMF·2H 2 O (1) and[Cd 2 (DDCBA)·DMA·H 2 O]·H 2 N(Me) 2 (2) have been synthesized under solvothermal condition by using a less-exploited symmetrical pentacarboxylate ligand, 3,5-di(3′, 5′-dicarboxylphenyl)benozoic acid (H 5 L). Both compounds 1 and 2 reveal the (5,5)-connected nets based on the binuclear metal clusters and organic linkers. The desolvated structure of 1 (1a) contains two shapes of 1D channel with suitable pore size and polar system decorated by uncoordinated carboxylate groups. As a result, 1a possesses not only high CO 2 loading but also excellent CO 2 /CH 4 selectivity at 273 and 298 K. In addition, both compounds display solid-state luminescence stemming from the ligand-centered fluorescence of H 5 L. IntroductionEffective capture and removal of CO 2 from sources of anthropogenic emission is one of the grand challenges faced by modern science and engineering. 1-4 Considerable effort has been made to develop effective methods and materials capable of capturing and sequestering CO 2 . 5, 6 Recent works on numerous materials demonstrated their potential for adsorption-based separation, including zeolites 7, 8 , hybrid zeolite-polymer systems 9, 10 , porous organic materials 11,12 and metal-organic frameworks (MOFs) [13][14][15][16] . Among these adsorbent materials, MOFs, as an exceptional class of CO 2 capture and separation materials, have received considerable attention because of their advantages over other systems with structural diversity and tunability. 17-22 The CO 2 capture depends on selective adsorption base on electronic interactions with MOFs rather than on size as the kinetic diameters of CO 2 , CH 4 and N 2 are 3.30, 3.76, 3.64 Å, respectively. 17-22 Therefore, it is common for improving CO 2 -MOFs interactions to focus on utilizing strongly polarizing functional group, open mental sites or amine grafting. 23, 24 Among these strategies, polycarboxylate ligands are always dominant in MOFs for their flexible and diverse coordination modes. 25, 26 Considering the rich diversity of carboxylate ligands, the incorporation of them and various metal nodes in the porous framework can afford the optimization of pore size and properties for specific applications. 24, 27 In this regard, a typical example is employing a series of polycarboxylate ligands and paddle-wheel secondary building blocks (SBUs) to construct highly porous frameworks (such as PCN-61, PCN-66, PCN-68, 28 NOTT-112, 29 and NI-100 30 ). Moreover, the recent advances in carboxylate-based MOFs validate excellent resistances toward water, organic solvent and acid chemical stimuli. 31-33 With the aim to construct porous MOFs, a less-exploited 3,5-di(3′, 5′-dicarboxylphenyl)benozoic acid (H 5 L) ligand is employed to construct appropriate MOFs with suitable pore size and polar groups based on following advantages: (i) H 5 L possesses five carboxylate groups with multiple coordination sites, which is more conducive to form multi-pore systems; (ii) the isophthalate-containing ...