Synthesis and characterization of a new organic dihydrogenomonophosphate [3,5-(CH3O)2C6H3NH3]2(H2PO4)2 |
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Authors: | K Kaabi F Lefebvre |
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Affiliation: | a Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna, Tunisia b Laboratoire de Chimie Organométallique de Surface (LCOMS), Ecole Supérieure de Chimie Physique Electronique, 69616 Villeurbanne Cedex, France |
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Abstract: | Chemical preparation, crystal structure, calorimetric studies and spectroscopic investigation are given for a new organic cation dihydrogenomonophosphate [3,5-(CH3O)2C6H3NH3]2(H2PO4)2. This compound is triclinic with the following unit cell parameters: a=9.030(6) Å, b=16.124(5) Å, c=8.868(3) Å, α=75.04(3)°, β=110.71(4)°, γ=104.61(1)°, Z=4, V=1148.0(1) Å3, Z=2 and ρcal.=1.454 g cm−3. Crystal structure was solved and refined to R=0.04, 2752 independent reflections. The atomic arrangement can be described as inorganic layers of H2PO4− anions parallel to planes, between which are located the organic groups. Solid-state and MAS-NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of the phosphorous and carbon signals to the independent crystallographic sites and to the various atoms of the organic groups. |
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Keywords: | B. Synthesis D. Crystal structure C. X-ray diffraction C. Nuclear resonance |
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