| Abstract
| - Organic−inorganic layered compounds may be synthesized by assembly of negatively charged inorganic macroanions and charge balancing protonated amines. Combination of ab initio structure determination from powder X-ray diffraction data with molecular simulation was used to characterize the structure and bonding of the novel microcrystalline phase Mn3(PO4)4·2(H3NCH2CH2)3N·6(H2O).
- A novel layered manganese(II) phosphate, Mn3(PO4)4·2(H3NCH2CH2)3N·6(H2O), has beensynthesized solvothermally using tris(2-aminoethyl)amine (TREN) as a template. Thestructure was solved ab initio using X-ray powder diffraction data and confirmed by molecularmodeling. The compound was further characterized by SEM, IR spectroscopy, photoluminescence, and elemental and thermal analysis. The compound crystallizes in the trigonalspace group P3̄c1 with a = 8.8706(4) Å, c = 26.158(2) Å, and V = 1782.6(2) Å3. The structureconsists of layers of corner sharing Mn(II)O4 and PO4 tetrahedra forming infinite [Mn3(PO4)4]6-macroanions with 4.6 net topology, sandwiched by layers of TREN and water molecules.The protonated TREN molecules provide charge balancing for the inorganic sheets; theinterlayer stability is accomplished mainly by a network of hydrogen bonds between watermolecules and the inorganic macroanions. This hybrid organic/inorganic layered materialcan be reversibly dehydrated.
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