Hydrophilic and Hydrophobic Channels of Flexible Crystal Lattice: (Guanidinium)2(Benzene-1,4-disulfonate)n(XC6H5)

Crystal Growth & Design(2023)

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摘要
The -NH2[SO3-]- electrostatic hydrogen bonding interaction between guanidinium (G(+)) and benzene-1,4-disulfonate (BS2-) formed the two-dimensional hydrogen-bonding network linked by benzene pillars, which formed a host-guest crystal with a halobenzene derivative (XC6H5) as a guest. When X = F, the (G(+))(2)(BS2-)3(FC6H5) crystals were obtained in the same type as the benzene inclusion (G(+))(2)(BS2-)3(C6H6) crystals. On the contrary, the size of the guest molecule increases for X = Cl and Br, and a hydrophilic channel with nine H2O molecules and a hydrophobic channel with two XC6H5 molecules coexist in (G(+))(2)(BS2-)2(XC6H5)9(H2O) crystals. The crystal structure with X = I returned to that of the crystals with FC6H5 as the guest, and the number of guest molecules decreased from three to two. Crystals with hydrophilic channels in a highly symmetric hexagonal lattice appear at X = Cl and Br, which are the boundary region between X = F and I. (G(+))(2)(BS2-)2(ClC6H5)9(H2O) crystals changed to guest-free crystals by heat at 373 K, which showed only gate H2O adsorption-desorption behavior at 298 K. The original host-guest crystals were recovered by the vapor diffusion of the ClC6H5-H2O mixture. However, once the crystal is heated to 420 K, it changes to a different host crystal (G(+))(2)(BS2-), where XC6H5 cannot be adsorbed again.
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关键词
hydrophobic channels,flexible crystal lattice
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