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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) September 25, 2009

1,4-diazabicyclo[2.2.2]octane-1,4-diium dihydrogen phosphate monohydrate from X-ray and neutron data

  • L'ubomír Smrcok , David Havlicek , Ondrej Kaman and Hakan Rundlöf

Abstract

The three-dimensional skeleton of the structure of the title compound is formed by the chains of the hydrogen phosphate units runing approximately parallel to the c-axis. The units are coupled to the chains by three types of hydrogen bonds: strong symmetric O–H–O (O … O = 2.424(4) and 2.425(4) Å) and the moderate P–O–H … O–P and P–O … (H2O) … O–P, respectively. Molecules of the doubly protonated 1,4-diazabicyclo[2.2.2]octane moieties are placed in the voids and in addition for electrostatic interactions they are also hydrogen bonded to the chains built around the PO4 tetrahedron. The DC conductivity measured at the room temperature along the b-axis is very low (≈ 7 × 10–11 S cm–1), while in the perpendicular plane it is for more than two or three orders higher and the nonlinear current vs. potential dependence was registered.


* Correspondence address: Slovak Academy of Sciences, Institute of Inorganic Chemistry, SK-84236 Bratislava, Slowakei,

Published Online: 2009-09-25
Published in Print: 2009-03

© by Oldenbourg Wissenschaftsverlag, München, Germany

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