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The structure directing role of 1, 3-diaminopropane in the hydrothermal synthesis of iron(III) phosphate

Rajić Nevenka Z. (Faculty of Technology and Metallurgy, University of Belgrade, Belgrade, Serbia and Montenegro)
Stojaković Đorđe R. (Faculty of Technology and Metallurgy, University of Belgrade, Belgrade, Serbia and Montenegro)
Hanžel Darko (Institute Jožef Štefan, Ljubljana, Slovenia)
Kaučič Venčeslav (National Institute of Chemistry, 1000 Ljubljana, Slovenia and University of Ljubljana, 1000 Ljubljana, Slovenia)

1,3-Diaminopropane (DAP) was used as a structure-directing agent for the hydrothermal synthesis of an organically templated iron phosphate. During crystallization at 180 ºC, iron phosphate (FePO-DAP) with a layered structure was formed after one day. Longer crystallization yielded a mixture of FePO-DAP and leucophosphite, raising the question whether a transformation of FePO-DAP to leucophosphite occurs, or whether DAP decomposes under hydrothermal conditions resulting in leucophosphite formation. Lattice energy and free energy calculations strongly support the supposition that a decomposition of DAP occurs prior to the formation of leucophosphite.

Keywords: FePO, iron phosphate, hydrothermal synthesis, GULP, open-framework