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Observation of the novel “three-pointed star” cage-like (H2O)5 cluster in a polymeric solid {[Ag2(bpp)2(H2O)2](chd)·9H2O} n

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Abstract

Coordination polymeric solid, {[Ag2(bpp)2(H2O)2](chd)·9H2O} n (1) (bpp = 1,3-bis(4-pyridyl) propane, H2chd = 1,4-cyclo-hexanedicarboxylic acid), has been obtained by the solution phase ultrasonic synthesis techniques. The structure established through X-ray structural analysis shows that the compound traps an interesting 1D water tape built by the alternating “three-pointed star” cage-like pentameric and D 2h tetrameric clusters (C2/c, Z = 4; a = 30.37(2) Å, b = 9.271(5) Å, and c = 18.89(1) Å; β = 128.47°; V = 4164(4) Å3). The novelty of the present complex is the rarely crystallographic example of the cage-shaped water pentamer, which is usually ascribed to a less-stable species. A first-principle density functional theory (DFT) calculation demonstrates that the interconnectivity between cage-like pentamers and D 2h tetramers is beneficial for contribution to the structural stabilization of these less-stable water cluster species.

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Authors and Affiliations

  1. Institute of Materials Physical Chemistry, Huaqiao University, Xiamen, 361021, China

    GengGeng Luo, HongBo Xiong & JingCao Dai

  2. School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou, 510640, China

    ZhiYong Fu

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  1. GengGeng Luo
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  2. HongBo Xiong
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  4. JingCao Dai
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Correspondence to JingCao Dai.

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Luo, G., Xiong, H., Fu, Z. et al. Observation of the novel “three-pointed star” cage-like (H2O)5 cluster in a polymeric solid {[Ag2(bpp)2(H2O)2](chd)·9H2O} n . Sci. China Chem. 55, 2104–2114 (2012). https://doi.org/10.1007/s11426-012-4581-2

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