The torsion between the central benzene ring and the outer aromatic rings in 1,3,5-tri-p-(tetrazol-5-yl)phenylbenzene (H3TPB-3tz) and the absence of such strain in 2,4,6-tri-p-(tetrazol-5-yl)phenyl-s-triazine (H3TPT-3tz) are shown to allow the selective synthesis of noncatenated and catenated versions of expanded sodalite-type metal-organic frameworks. The reaction of H3TPB-3tz with CuCl2.2H2O affords the noncatenated compound Cu3[(Cu4Cl)3(TPB-3tz)8]2.11CuCl2.8H2O.120DMF (2), while the reaction of H3TPT-3tz with MnCl2.4H2O or CuCl2.2H2O generates the catenated compounds Mn3[(Mn4Cl)3(TPT-3tz)8]2.25H2O.15CH3OH.95DMF (3) and Cu3[(Cu4Cl)3(TPT-3tz)8]2.xsolvent (4). Significantly, catenation helps to stabilize the framework toward collapse upon desolvation, leading to an increase in the surface area from 1120 to 1580 m2/g and an increase in the hydrogen storage capacity from 2.8 to 3.7 excess wt % at 77 K for 2 and 3, respectively. The total hydrogen uptake in desolvated 3 reaches 4.5 wt % and 37 g/L at 80 bar and 77 K, demonstrating that control of catenation can be an important factor in the generation of hydrogen storage materials.

中文翻译：

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扩展的方钠石型金属有机框架：增加的稳定性和H（2）吸附通过配体定向的级联。

1,3,5-三-对-（四唑-5-基）苯基苯（H3TPB-3tz）中的中心苯环和外部芳环之间的扭转，而在2,4,6-tri中不存在这种应变显示对-（四唑-5-基）苯基-s-三嗪（H3TPT-3tz）允许选择性合成膨胀方钠石型金属有机骨架的未连接和连接的形式。H3TPB-3tz与CuCl2.2H2O的反应得到未分类的化合物Cu3 [（Cu4Cl）3（TPB-3tz）8] 2.11CuCl2.8H2O.120DMF（2），而H3TPT-3tz与MnCl2.4H2O或CuCl2的反应.2H2O生成链状化合物Mn3 [（Mn4Cl）3（TPT-3tz）8] 2.25H2O.15CH3OH.95DMF（3）和Cu3 [（Cu4Cl）3（TPT-3tz）8] 2.x溶剂（4）。重要的是，级联有助于稳定框架，使其在去溶剂化时不会崩溃，导致2和3的表面积分别从1120增至1580 m2 / g和过量77％的储氢量从2.8 wt％增至3.7 wt％。在80 bar和77 K下，去溶剂化3中的总氢吸收量达到4.5 wt％和37 g / L，这表明控制级联可以是储氢材料产生的重要因素。