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

• The three-dimensional skeleton of the structure of the title compound is formed by the chains of the hydrogen phosphate units running 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 center dot center dot center dot O = 2.424(4) and 2.425(4) angstrom) and the moderate P-O-H center dot center dot center dot O-P and P-O center dot center dot center dot(H2O)center dot center dot center dot 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 of PO4 tetrahedra. The DC conductivity measured at the room temperature along the b-axis is very low (approximate to 7 x 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.

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NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

Nyckelord

Dihydrogen phosphate

Proton conductivity

Single crystal structure analysis

Neutron diffraction

Chemistry

Kemi

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