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Synthesis, crystal structure, and characterization of a new non-centrosymmetric organic–inorganic hybrid material: [C6H16N2]2(BiBr6)NO3

Abstract : A novel organic–inorganic hybrid material, [C6H16N2]2(BiBr6)NO3, was synthesized, and its structure was determined by means of single crystal X-ray diffraction studies at room temperature in the non-centrosymmetric orthorhombic space group P21212 with the following parameters: a = 17.629(5) Å, b = 20.279(5) Å, c = 7.319(5) Å, and Z = 4. The crystal lattice is composed of discrete hexabromobismuthates and nitrate anions surrounded by trans-2,5-dimethylpiperazine-1,4-diium cations linked via simple and bifurcated N–H···Br(O) and weak C–H···Br(O) hydrogen bonds to form three-dimensional network. The vibrational spectrum has been measured at room temperature by FT-IR spectroscopy (4000–400 cm−1) on polycrystalline samples, shows the presence of organic cation and nitrate anion. The number of 13C CP-MAS NMR lines is in full agreement with the crystallographic data. Graphical abstract
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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01231158
Contributor : Laurent Jonchère <>
Submitted on : Thursday, November 19, 2015 - 3:46:58 PM
Last modification on : Friday, July 10, 2020 - 4:10:12 PM

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Manel Essid, Thierry Roisnel, Mohamed Rzaigui, Houda Marouani. Synthesis, crystal structure, and characterization of a new non-centrosymmetric organic–inorganic hybrid material: [C6H16N2]2(BiBr6)NO3. Chemical Monthly / Monatshefte für Chemie, Springer Verlag, 2015, 146 (12), pp.1959--1965. ⟨10.1007/s00706-015-1485-9⟩. ⟨hal-01231158⟩

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