Abstract Binuclear Ni(II) chelating complex with chiral Schiff base 1-((E)-(((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)imino)methyl)naphthalene-2-ol [Ni2L2] has been synthesized. The structure of [Ni2L2] was elucidated with single-crystal X-ray diffraction, spectroscopic (UV–vis, FTIR, mass) analysis and substantiated with computational (DFT) method. The crystal system of binuclear complex is monoclinic with space group P21/c. The asymmetric unit having two tridentate OON-donor sets are in slightly distorted square-planar geometry around each Ni(II) center. The distortion is due to strong coordination between two Ni(II) ions. The stabilization of complex [Ni2L2] occurs due to noncovalent interactions and hydrogen bonding (C–H…C and C–H…O), H…H, O…H, C…H, and C–H…π stacking interactions, and van der Waals interactions. DFT optimization, with little acceptable discrepancies, correlate with the X-ray diffraction data as well as TD DFT optimization for electronic transitions of the complex showing acceptable alignment with spectroscopic data. The complex displays appreciable inclination towards DNA-binding with calf-thymus DNA (CT DNA) and the DNA-binding studies were carried out by UV–visible spectroscopy, fluorescence spectroscopy, cyclic voltammetry, viscosity measurements, and CD spectroscopy. The DNA-binding study reveals that the order of binding constant value is in 105 M−1, supporting the effective efficiency of binding and the modes of binding are intercalation and groove. Graphical Abstract

中文翻译：

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三齿OON手性席夫碱配体的双核手性Ni(II)配合物，1-((E)-(((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)imino)甲基)萘-2-醇

摘要 双核 Ni(II) 螯合物与手性席夫碱 1-((E)-(((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)naphthalene -2-ol [Ni2L2] 已合成。[Ni2L2] 的结构用单晶 X 射线衍射、光谱（UV-vis、FTIR、质量）分析阐明，并用计算 (DFT) 方法证实。双核配合物的晶系为单斜晶系，空间群为P21/c。具有两个三齿 OON 供体组的不对称单元在每个 Ni(II) 中心周围呈略微扭曲的方形平面几何形状。失真是由于两个 Ni(II) 离子之间的强配位所致。复合物 [Ni2L2] 的稳定是由于非共价相互作用和氢键（C–H…C 和 C–H…O）、H…H、O…H、C…H 和 C–H…π 堆积相互作用，和范德瓦尔斯相互作用。DFT 优化，几乎没有可接受的差异，与 X 射线衍射数据以及复合物电子跃迁的 TD DFT 优化相关，显示出与光谱数据可接受的对齐。该复合物显示出与小牛胸腺 DNA (CT DNA) 结合的明显倾向，并且 DNA 结合研究是通过紫外-可见光谱、荧光光谱、循环伏安法、粘度测量和 CD 光谱进行的。DNA结合研究表明，结合常数值的阶数为105 M-1，支持有效结合效率，结合方式为嵌入和凹槽。图形概要 与 X 射线衍射数据以及复合物电子跃迁的 TD DFT 优化相关，显示出与光谱数据可接受的对齐。该复合物显示出与小牛胸腺 DNA (CT DNA) 结合的明显倾向，并且 DNA 结合研究是通过紫外-可见光谱、荧光光谱、循环伏安法、粘度测量和 CD 光谱进行的。DNA结合研究表明，结合常数值的阶数为105 M-1，支持有效结合效率，结合方式为嵌入和凹槽。图形概要 与 X 射线衍射数据以及复合物电子跃迁的 TD DFT 优化相关，显示出与光谱数据可接受的对齐。该复合物显示出与小牛胸腺 DNA (CT DNA) 结合的明显倾向，并且 DNA 结合研究是通过紫外-可见光谱、荧光光谱、循环伏安法、粘度测量和 CD 光谱进行的。DNA结合研究表明，结合常数值的阶数为105 M-1，支持有效结合效率，结合方式为嵌入和凹槽。图形概要 循环伏安法、粘度测量和 CD 光谱。DNA结合研究表明，结合常数值的顺序在105 M-1，支持有效结合效率，结合方式为嵌入和凹槽。图形概要 循环伏安法、粘度测量和 CD 光谱。DNA结合研究表明，结合常数值的阶数为105 M-1，支持有效结合效率，结合方式为嵌入和凹槽。图形概要