首页> 外文期刊>International Journal of Quantum Chemistry >Inorganic-Organic Hybrid Materials: Synthsis and Structure of a Reduced Ferrous Molybdophosphate, [(C_12H_8N_2)_3Fe~II]_2[Fe~(II)Mo_(12~V)(H_2PO_4)_6(PO_4)_2(OH)_6O_24], in the Presence of Fe(II)(1,10-Phenanthroline)_3 Complex
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Inorganic-Organic Hybrid Materials: Synthsis and Structure of a Reduced Ferrous Molybdophosphate, [(C_12H_8N_2)_3Fe~II]_2[Fe~(II)Mo_(12~V)(H_2PO_4)_6(PO_4)_2(OH)_6O_24], in the Presence of Fe(II)(1,10-Phenanthroline)_3 Complex

机译:无机-有机杂化材料:[[C_12H_8N_2)_3Fe〜II] _2 [Fe〜(II)Mo_(12〜V)(H_2PO_4)_6(PO_4)_2(OH)_6O_24]的合成和结构Fe(II)(1,10-Phenanthroline)_3配合物的存在下

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摘要

A new composite solid of the formula [(C_12H_8N_2)_3Fe~(II)]_2 [Fe~(II)Mo_(12)~(V)(H_2PO_4)_6(PO_4)_2(OH)_6O_24] 1 has been synthesized from a reaction mixture of MoO_3, Fe_2(C_2O_4)_3·6H_2O, C_2H_2O_4·2H_2O, 1,10-phenanthroline monohydrate, H_3PO_4, and H_2O under hydrothermal conditions. Crystal data: trigonal, space group, R-3, a = 16.874(6)A, c = 30.117(70A, V = 7426(4)A~3, R_1 = 0.0190, wR_2 = 0.0468, and S = 1.137. The structure of 1 is built up from FeMo_12(H_2PO_4)_6(PO_4)_2(OH)_6O_(24)~(4-) cluster anions connected to each other via hydrogen bonds. The arrangement of clusters is such that each cluster is surrounded by six equivalent anions resultin in three-dimensional cavities. The charge balancing cation, [(C_12H_8N_2)_3Fe]~(2+) complex, resides in the cavities and interact with the clusters through hydrogen bonds. There is also strong #pi#-#pi# interactions exist among the phenyl rings.
机译:由[[C_12H_8N_2)_3Fe〜(II)] _ 2 [Fe〜(II)Mo_(12)〜(V)(H_2PO_4)_6(PO_4)_2(OH)_6O_24]合成的新复合固体MoO_3,Fe_2(C_2O_4)_3·6H_2O,C_2H_2O_4·2H_2O,1,10-菲咯啉一水合物,H_3PO_4和H_2O的反应混合物。晶体数据:三角形,空间群,R-3,a = 16.874(6)A,c = 30.117(70A,V = 7426(4)A〜3,R_1 = 0.0190,wR_2 = 0.0468和S = 1.137。 1的结构由FeMo_12(H_2PO_4)_6(PO_4)_2(OH)_6O_(24)〜(4-)簇状阴离子通过氢键相互连接而成,簇的排列使得每个簇被六个当量的阴离子形成三维空穴,电荷平衡阳离子[(C_12H_8N_2)_3Fe]〜(2+)络合物驻留在空穴中并通过氢键与簇相互作用,还存在较强的#pi#-#苯环之间存在pi#相互作用。

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