Abstract Two mononuclear Cu(I) complexes, [Cu(PBO)(PPh3)2]·PF6·CH2Cl2 (1) and [Cu(PBM)(PPh3)2]·PF6 (2) (PBO = 2-(2′-pyridyl)benzoxazole, PBM = 2-(2′-pyridyl)benzimidazole, PPh3 = triphenylphosphine), have been synthesized and characterized by elemental analyses, IR, single crystal X-ray diffraction, fluorescence spectroscopy, and cyclic voltammetry. The structural analysis revealed that in 1 and 2, the Cu(I) ions are four-coordinate and the coordination geometry around the Cu(I) is distorted tetrahedral. Photoluminescent investigation shows that 1 and 2 exhibit distinct tunable green (523 nm)-to-yellow (557 nm) photoluminescence by varying the N-heterocyclic ligands. Electrochemical properties of 1 and 2 have been investigated by cyclic voltammetry. The results suggest the frontier molecular orbits and the HOMO-LUMO energy gaps of these cuprous complexes are effectively adjusted through the introduction of different N-heterocyclic ligands.

中文翻译：

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两种具有 N-杂环配体的单核铜 (I) 配合物的合成、结构和性质

摘要 两种单核 Cu(I) 配合物 [Cu(PBO)(PPh3)2]·PF6·CH2Cl2 (1) 和 [Cu(PBM)(PPh3)2]·PF6 (2) (PBO = 2-(2' -吡啶基）苯并恶唑，PBM = 2-（2'-吡啶基）苯并咪唑，PPh3 = 三苯基膦），已通过元素分析、IR、单晶 X 射线衍射、荧光光谱和循环伏安法进行合成和表征。结构分析表明，在 1 和 2 中，Cu(I) 离子是四配位的，并且 Cu(I) 周围的配位几何是扭曲的四面体。光致发光研究表明，通过改变 N-杂环配体，1 和 2 表现出明显的可调绿色 (523 nm) 至黄色 (557 nm) 光致发光。已通过循环伏安法研究了 1 和 2 的电化学性质。