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一种新型偕胺肟及其钯(II)和铂(II)配合物的实验与理论联合研究:合成、结构表征及光谱性质

A combined experimental and theoretical investigation of a new imineoxime and its palladium(II) and platinum(II) complexes: synthesis, structural characterization and spectroscopic properties.

作者信息

Kaya Yunus, Icsel Ceyda, Yilmaz Veysel T, Buyukgungor Orhan

机构信息

Department of Chemistry, Faculty of Arts and Sciences, Uludag University, 16059 Bursa, Turkey.

Department of Chemistry, Faculty of Arts and Sciences, Uludag University, 16059 Bursa, Turkey.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Dec 10;133:93-101. doi: 10.1016/j.saa.2014.05.055. Epub 2014 May 27.

Abstract

A new imineoxime compound {(1E,2E)-(2-hydroxy-ethylimino)-naphthalene-2yl-ethanal oxime (heineoH)} and its palladium(II) and platinum(II) complexes ([M(heineo)2]) have been synthesized and characterized by IR, NMR, UV-vis, elemental analysis, mass spectra and X-ray single crystal diffraction. [Pt(heineo)2] was obtained as a single crystal, while [Pd(heineo)2] was synthesized as a polycrystalline powder. The X-ray diffraction analysis of the [Pt(heineo)2] indicated that the platinum(II) ion is coordinated by two heineo ligands in a distorted square-planar geometry. DFT (B3LYP/6-311++G(d,p) and LANL2DZ) calculations on the ligand and its complexes were carried out to correlate the geometry and vibrational and electronic properties. Additionally, heineoH is fluorescent in EtOH at room temperature, but the fluorescence is quenched in the case of the metal complexes.

摘要

一种新型的偕胺肟化合物{(1E,2E)-(2-羟基亚乙基氨基)-萘-2-基-乙醛肟(海因肟,heineoH)}及其钯(II)和铂(II)配合物([M(海因肟)2])已被合成,并通过红外光谱、核磁共振、紫外可见光谱、元素分析、质谱和X射线单晶衍射进行了表征。[Pt(海因肟)2]以单晶形式获得,而[Pd(海因肟)2]则合成得到多晶粉末。[Pt(海因肟)2]的X射线衍射分析表明,铂(II)离子由两个海因肟配体以扭曲的平面正方形几何构型配位。对配体及其配合物进行了密度泛函理论(DFT,B3LYP/6-311++G(d,p)和LANL2DZ)计算,以关联其几何结构以及振动和电子性质。此外,海因肟在室温下的乙醇中具有荧光,但在金属配合物的情况下荧光会猝灭。

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