期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1182, 期 -, 页码 47-53出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2019.01.035
关键词
Chiral hybrid halide; Crystal structure; Phase transitions; Nonlinear optics; Second harmonic generation
(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 P2(1)2(1)2(1) (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 center dot center dot center dot X and C-H center dot center dot center dot 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 degrees C. The Kurtz and Perry powder method using Nd:YAG 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. (C) 2019 Elsevier B.V. All rights reserved.
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