Abstract

The metal salts KSCN, Ni(CH₃COO)₂·4H₂O, and auxiliary ligand pyridine were added respectively to the salamo-like ligand H₂L, and it is expected that the Ni(II) complex coordinated by H₂L will be obtained. X-ray analysis of the obtained blue bulk single crystal revealed that the ligand H₂L did not participate in the coordination, and a mononuclear Ni(II) complex [Ni(Py)₄(NCS)₂] contained four coordinated pyridine molecules was unexpectedly obtained, and characterized by IR, UV-Visible spectroscopy, and X-ray diffraction. The Ni(II) atom was surrounded by six N atoms, formed a slightly distorted octahedral geometry configuration. Hirshfeld surfaces analyses were performed to determine the various interactions presented in the molecule. DFT calculations were also conducted. In antimicrobial tests, the Ni(II) complex exhibited better inhibition of Escherichia coli relative to Staphylococcus aureus.

摘要

金属盐KSCN，镍（CH ₃ COO）₂ ·4H ₂ O，和辅助配体的吡啶分别到salamo样配体小时加入₂ L，并且期望的是，镍（II）配合物用H协调₂大号将获得。获得的蓝色块状单晶的 X 射线分析表明配体 H ₂ L 不参与配位，而单核 Ni(II) 配合物 [Ni(Py) ₄ (NCS) ₂] 意外地获得了含有四个配位吡啶分子的化合物，并通过红外、紫外-可见光谱和 X 射线衍射进行了表征。Ni(II) 原子被六个 N 原子包围，形成略微扭曲的八面体几何构型。进行 Hirshfeld 表面分析以确定分子中存在的各种相互作用。还进行了 DFT 计算。在抗菌测试中，在Ni（II）络合物表现出更好的抑制的大肠杆菌大肠杆菌相对于金黄色葡萄球菌。