Crystal packing, high-temperature phase transition, second-order nonlinear optical and biological activities in a hybrid material [(S)-C7H16N2][CuBr4]

Abstract : The directed synthesis of non-centrosymmetric copper (II) bromo-complex has been achieved through the use of homochiral organic molecule. Reaction containing (S)-(-)-3-aminoquinuclidine, CuBr2, HBr and H2O were subjected to mild hydrothermal conditions, resulting in the growth of single crystals of [(S)-C7H16N2][CuBr4]. The compound crystallizes in the non polar space group P2(1)2(1)2(1)(No. 19), which exhibits the enantiomorphic crystal class 222 (D-2). In the crystal structure, the tetrabromocuprate(II) anion is connected to three organic cations through N-H center dot center dot center dot Br hydrogen bonds to form cation-anion-cation molecular units, which are held together by means of offset face-to-face interactions to give one-dimensional chains. DSC measurements indicated that the compound [(S)-C7H16N2][CuBr4] underwent a reversible phase transition at 80 degrees C. [(S)-C7H16N2][CuBr4] is more than 1.2 times as efficient as KDP in second harmonic generation; making it a potentially attractive material for non-linear optical applications. The synthesized product was also screened for in vitro antioxidant and antimicrobial activities, while showing favorable antioxidant activities against DPPH as well as the discoloration of beta-carotene. (C) 2018 Elsevier B.V. All rights reserved.