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Coordination polymeric solid, {[Ag 2 (bpp) 2 (H 2 O) 2 ](chd)·9H 2 O} n (1) (bpp = 1,3-bis(4-pyridyl) propane, H 2 chd = 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) , b = 9.271(5) , and c = 18.89(1) ; β = 128.47°; V = 4164(4) 3 ). 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.
Coordination polymeric solid, {[Ag 2 (bpp) 2 (H 2 O) 2] (chd) · 9H 2 O} n bpp = 1,3- bis (4-pyridyl) propane, 1,4-cyclo-hexanedicarboxylic acid, has been obtained by the solution phase ultrasonic synthesis techniques. The structure established by 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), b = 9.271 (5), and c = 18.89 (1); β = 128.47 °; (4) 3). The novelty of the present complex is the little 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.