Ferroelastic structures of n-pentyl-, n- hexyl- and n-nonylammonium dihydrogenphosphate crystals

This study reports the structure redeterminations of C5H11NH3+. H2PO4- (n-pentylammonium dihydrogenphosphate, C5ADP), C6H13NH3+. H2PO4- (n-hexylammonium dihydrogenphosphate, C6ADP) and C9H19NH3+. H2PO4- (n-nonylammonium dihydrogenphosphate, C9ADP). The structures are monoclinic (P2(1)/n), belonging to the series of previously studied structures C2ADP-C8ADP and C10ADP. The structures exhibit reproducible ferroelastic switching. There are hydrogen bonds between the dihydrogenphosphates and the n-alkylammonium groups. Among them there are two hydrogen bonds with hydrogens which hop from the donor to the acceptor oxygens during the ferroelastic switching. C5ADP as well as C3ADP differ from the other members of the series by packing of the double layers of the dihydrogenphosphates. Moreover, the packing of n-alkylammonium molecules in all these structures depends on the parity of the number of atoms in the n-alkylammonium chains. All the samples contained two domains and their structures were refined as twins.