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首页> 外文期刊>International Journal of Quantum Chemistry >Synthesis of open-framework iron phosphates, [C6N2H14][(Fe2F2)-F-III(HPO4)(2)(H2PO4)(2)]center dot 2H(2)O and [C6N2H14](2)[Fe-3(III)(OH)F-3(PO4)(HPO4)(2)](2)center dot H2O, with one- and three-dimensional structures
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Synthesis of open-framework iron phosphates, [C6N2H14][(Fe2F2)-F-III(HPO4)(2)(H2PO4)(2)]center dot 2H(2)O and [C6N2H14](2)[Fe-3(III)(OH)F-3(PO4)(HPO4)(2)](2)center dot H2O, with one- and three-dimensional structures

机译:合成开放骨架的磷酸铁,[C6N2H14] [(Fe2F2)-F-III(HPO4)(2)(H2PO4)(2)]中心点2H(2)O和[C6N2H14](2)[Fe-3 (III)(OH)F-3(PO4)(HPO4)(2)](2)中心点H2O,具有一维和三维结构

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The hydrothermal syntheses and structures of two new open-framework iron phosphates, I, [C6N2H14] [(Fe2F2)-F-III(HPO4)(2), (H2PO4)].2H(2)O, II, and [C6N2H14](2)[Fe-3(III)(OH)F-3(PO4) (HPO4)(2)](2). 3 H2O, are presented. The structures of both I and II consist of (FeOF2)-F-4 octahedra and PO4 terahedra linked to form one- and three-dimensional structures. Both the compounds possess infinite one-dimensional chains of Fe-O/F-Fe formed by the FeO4F2 octahedra. The di-protonated DABCO cations are located in between the chains in I and within the channels in II. Whilst I possess the tancoite structure with a new chain composition, II has a three-dimensional structure similar to the gallophosphate, ULM-1. Crystal data for I: M = 685.84, monoclinic, space group C2/c (no. 15), a = 7.232(2), b = 20.520(7), c = 13.933(4) Angstrom, beta = 97.68(3)degrees, v = 2049.1(1) Angstrom(3), Z = 4, rho(calc.) = 2.223 g cm(-3), mu(MoKalpha) = 1.841 mm(-1), R-1 = 0.06, wR(2) = 0.12, S = 1.17 for 163 parameters; II, M = 1303.33, monoclinic, space group = C2/c (no. 15), a = 18.1836(2), b = 10.0126(7), c = 20.0589(4) Angstrom, beta = 106.08(3)degrees, v = 3509.0(2) Angstrom(3), Z = 4, rho(calc) = 2.467 gcm(-3), mu(MoKalpha) = 2.830 mm(-1), R-1 = 0.034, wR(2) = 0.081, S = 1.06 for 284 parameters. (C) 2002 Elsevier Science (USA). [References: 49]
机译:I,[C6N2H14] [(Fe2F2)-F-III(HPO4)(2),(H2PO4)]。2H(2)O,II和[C6N2H14 ](2)[Fe-3(III)(OH)F-3(PO4)(HPO4)(2)](2)。提出了3 H2O。 I和II的结构均由(FeOF2)-F-4八面体和PO4八面体组成,以形成一维和三维结构。两种化合物均具有由FeO4F2八面体形成的Fe-O / F-Fe无限一维链。双质子化的DABCO阳离子位于I中的链之间和II中的通道内。虽然我拥有具有新链组成的坦诺石结构,但我II具有类似于镓磷酸盐ULM-1的三维结构。 I的晶体数据:M = 685.84,单斜晶,C2 / c空间群(第15号),a = 7.232(2),b = 20.520(7),c = 13.933(4)埃,beta = 97.68(3)度,v = 2049.1(1)埃(3),Z = 4,rho(计算)= 2.223 g cm(-3),mu(MoKalpha)= 1.841 mm(-1),R-1 = 0.06,wR (2)= 0.12,对于163个参数,S = 1.17; II,M = 1303.33,单斜晶系,空间群= C2 / c(第15位),a = 18.1836(2),b = 10.0126(7),c = 20.0589(4)埃,β= 106.08(3)度, v = 3509.0(2)埃(3),Z = 4,rho(calc)= 2.467 gcm(-3),mu(MoKalpha)= 2.830 mm(-1),R-1 = 0.034,wR(2)= 0.081,对于284个参数,S = 1.06。 (C)2002 Elsevier Science(美国)。 [参考:49]

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