Synthesis, crystal structures, second harmonic generation response and temperature phase transitions of two noncentrosymmetric Cu(II)-hybrid halides compounds [(R)-C7H16N2][CuX4] (X = Cl or Br)

Abstract : (R)-(+)-3-aminoquinuclidine was used in the synthesis of [(R)-C7H16N2][CuCl4] (1) and [(R)-C7H16N2][CuBr4] (2), which both contain similar [CuX4]2- anions (X = Cl or Br). The structures of the two compounds were determined using single-crystal X-ray diffraction. The use of enantiomerically pure sources of (R)-C7H14N2 forces crystallographic noncentrosymmetry. These materials crystallize in the chiral space group P212121 (No. 19), which exhibits the enantiomorphic crystal class 222 (D2). In the molecular arrangement, the [CuX4]2- anions are linked to the organic cations through N–H … X and C–H … X hydrogen bonds to form cation-anion-cation molecular units, which are held together by means of offset face-to-face interactions giving a three-dimensional network. Thermal stability of the crystals was ascertained by TG measurement. Compounds (1) and (2) display several phases transition with higher transition temperature at T = 100 °C. The Kurtz and Perry powder method using NdYAG laser shows that their second harmonic generation (SHG) efficiencies are about 0.81 and 0.82 times as large as that of KH2PO4 (KDP), respectively. Such a chiral hybrid metal halides skeleton could provide a new platform for future engineering in the areas including information storage, light modulators and optoelectronic functionalities. © 2019 Elsevier B.V.
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Submitted on : Wednesday, February 27, 2019 - 3:42:24 PM
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F. Hajlaoui, I.B. Hadj Sadok, H.A. Aeshah, N. Audebrand, T. Roisnel, et al.. Synthesis, crystal structures, second harmonic generation response and temperature phase transitions of two noncentrosymmetric Cu(II)-hybrid halides compounds [(R)-C7H16N2][CuX4] (X = Cl or Br). Journal of Molecular Structure, Elsevier, 2019, 1182, pp.47-53. ⟨10.1016/j.molstruc.2019.01.035⟩. ⟨hal-02051156⟩

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