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Temperature-dependent single-crystal neutron diffraction study of the strong OHN hydrogen bond in pyridinium
Irena Majerz1, Matthias J Gutmann
1Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, PL 50-383 Wroclaw, Poland. maj@wchuwr.chem.uni.wroc.pl
Abstract:
The structure of pyridinium 2,4-dinitrobenzoate was studied by neutron diffraction at 300, 270, 240, 210, 180, 150, 120, 90, 60, and 30 K. With temperature change, the O...H bond length changes from 1.403(10) A at 300 K to 1.424(4) A at 30 K. The proton shifts in the hydrogen bridge toward the acceptor nitrogen atom. Temperature-dependent changes in the strong OHN hydrogen bond were analyzed by using both the neutron structure and the atom-in-molecule approach. The results are compared with those for other strong OHN hydrogen bonds.
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