Abstract Heteroleptic complexes [Cu(2-IPy)2X2] (2-IPy = 2-iodopyridine, X = Cl (1), Br (2)) were synthesized and characterized by X-ray diffractometry and thermogravimetric analysis (TGA). Analysis of their structures reveals differences of halogen bonding (XB) patterns with those in previously reported [Cu(2-XPy)2Y2] (X and Y = Cl or Br, respectively). DFT calculations were performed for the whole series, enabling estimation of XB energies.

中文翻译：

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双（2-卤代吡啶）二卤铜（II）家族的中性杂配配合物：卤素原子的性质如何影响固态卤素键的超分子基序和能量？

摘要 合成了杂配配合物[Cu(2-IPy)2X2] (2-IPy = 2-iodopyridine, X = Cl (1), Br (2))，并通过 X 射线衍射和热重分析 (TGA) 对其进行了表征。对其结构的分析揭示了卤素键 (XB) 模式与先前报道的 [Cu(2-XPy)2Y2]（X 和 Y = Cl 或 Br，分别）中的那些不同。对整个系列进行了 DFT 计算，从而能够估计 XB 能量。