[C6N2H14]0.5·[MnAl3(PO4)4(H2O)2]：一种具有AFN拓扑结构的锰（II）取代的磷酸铝。

[C6N2H14]0.5.[MnAl3(PO4)4(H2O)2]: a manganese(II)-substituted aluminophosphate with AFN topology.

作者信息

Shi Lei, Li Jiyang, Yu Jihong, Li Yi, Ding Hong, Xu Ruren

机构信息

State Key Lab of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130023, P. R. China.

出版信息

Inorg Chem. 2004 Apr 19;43(8):2703-7. doi: 10.1021/ic035329a.

DOI:10.1021/ic035329a

PMID:15074989

Abstract

A new manganese(II)-substituted aluminophosphate, [C(6)N(2)H(14)]0.5.[MnAl(3)(PO(4))(4)(H(2)O)(2)], denoted as MnAPO-14, has been synthesized hydrothermally in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) as the structure-directing agent. Its structure is determined by single-crystal X-ray diffraction analysis and further characterized by X-ray powder diffraction, ICP, and TG analyses. The structure of MnAPO-14 is built up by MnO(4)(H(2)O)(2) octahedra, AlO(4) tetrahedra, and PO(4) tetrahedra via Al-O-P and Mn-O-P linkages. Its framework is analogous to that of aluminophosphate zeotype AFN in which 25% of the aluminum sites are replaced by Mn(II) atoms. The diprotonated DABCO cations reside in the eight-membered ring channels. Computational simulations indicate that the substitution site of Mn to Al is determined by the host-guest interaction. Crystal data: [C(6)N(2)H(14)]0.5.[MnAl(3)(PO(4))(4)(H(2)O)(2)], triclinic P1 (No. 2), a = 9.5121(4) A, b = 9.8819(3) A, c = 12.1172(4) A, alpha = 70.533(2) degrees, beta = 73.473(2) degrees, gamma = 82.328(2) degrees, Z = 2, R(1) = 0.0586 (I > 2 sigma(I)), and wR(2) = 0.1877 (all data).

摘要

一种新型的锰（II）取代的磷酸铝，[C(6)N(2)H(14)]0.5.[MnAl(3)(PO(4))(4)(H(2)O)(2)]，记为MnAPO - 14，已在1,4 - 二氮杂双环[2.2.2]辛烷（DABCO）作为结构导向剂的存在下通过水热法合成。其结构通过单晶X射线衍射分析确定，并通过X射线粉末衍射、电感耦合等离子体质谱（ICP）和热重（TG）分析进一步表征。MnAPO - 14的结构由MnO(4)(H(2)O)(2)八面体、AlO(4)四面体和PO(4)四面体通过Al - O - P和Mn - O - P键连接而成。其骨架类似于磷酸铝沸石型AFN，其中25%的铝位点被Mn(II)原子取代。双质子化的DABCO阳离子位于八元环通道中。计算模拟表明，Mn对Al的取代位点由主客体相互作用决定。晶体数据：[C(6)N(2)H(14)]0.5.[MnAl(3)(PO(4))(4)(H(2)O)(2)]，三斜晶系P1（编号2），a = 9.5121(4) Å，b = 9.8819(3) Å，c = 12.1172(4) Å，α = 70.533(2)°，β = 73.473(2)°，γ = 82.328(2)°），Z = 2，R(1) = 0.0586（I > 2σ(I)），wR(2) = 0.1877（所有数据）。