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Publications in Scientific Journals:

M. Kogler, B. Stöger:
"Hydrogen-bonding in mono-, di- and tetramethylammonium dihydrogenphosphites";
Zeitschrift für Kristallographie - Crystalline Materials, 236 (2021), 33 - 41.



English abstract:
Abstract: The crystal structures of methylammonium and dimethylammonium dihydrogenphosphite (MA⋅H2PO3, I2/a and DMA⋅H2PO3, P2_#{1}/c) are built of infinite chains of hydrogen bonded H2PO3- anions. The chains are connected by the ammonium cations via hydrogen bonding to di- (DMA⋅H2PO3) and triperiodic (MA⋅H2PO3) networks. Tetramethylammonium dihydrogenphosphite monohydrate (TMA⋅H2PO3⋅H2O) features temperature dependent dimorphism. The crystal structure of the high-temperature (HT, cubic P213) and low-temperature (LT, orthorhombic P212121) phases were determined at 150 and 100 K, respectively. The hydrogen bonding network in the HT phase is disordered, with H2PO3 and H2O being located on a threefold axis and is ordered in the LT phase. On cooling, the point symmetry is reduced by an index of 3. The lost symmetry is retained as twin operations, leading to threefold twinning by pseudo-merohedry. The hydrogen-bonding networks of the HT and LT phases can be represented by undirected and directed quotient graphs, respectively.

Keywords:
hydrogen bonding; phase transition; symmetry relations; twinning; voltage graphs.


"Official" electronic version of the publication (accessed through its Digital Object Identifier - DOI)
http://dx.doi.org/10.1515/zkri-2020-0088


Created from the Publication Database of the Vienna University of Technology.