JOURNAL of the Tunisian Chemical Society

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Synthesis, crystal structure, thermal behavior and spectroscopic studies of [NC5H12+]•[H2PO4-]

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The title compound, [NC5H12+]•[H2PO4], was synthesized hydrothermally at 453 K. Its structure, determined by single crystal X-ray diffraction. is trigonal with the space group R (N°148) and the following unit cell parameters : a = 23.218(4) Å. c = 58.40(3) Å, V = 27266.9(1) Å3 and Z = 18. The refinement of the data leads to a factor R of 0.056 and an Rw of 0.25 for 5159 reflections with l>4σ(l). The atomic arrangement presents extended corrugated chains strongly linked together by (O-H...O) hydrogen bonds, to delimit tunnels developing along the [001] direction. Organic cations, located inside the tunnels, are maintained to phosphate groups via weak (N-H...O) hydrogen bonds. X-ray powder diffraction, IR and NMR spectroscopic studies support basically the structure refinement.

A. Dakhlaoui, L. S. Smiri

Hydrothermal Synthesis, X-ray diffraction, Infrared and NMR Spectroscopies, Thermogravimetric Analysis (TGA), Crystal Structure

Pages 59-69

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