Crystal structure of {N-(2-hydroxyethylamino) ethylsalicylaldiminato]-palladium(II) chloride}: Synthesis, X-ray structure, electrochemistry, DFT and TDDFT studies

被引：8
作者：
Hasnaoui, Ali [1 ]
Hdoufane, Ismail [2 ]
Idouhli, Rachid [3 ]
Therrien, Bruno [4 ]
Ali, Mustapha Ait [1 ]
El Firdoussi, Larbi [1 ]
机构：
[1] Univ Cadi Ayyad, Fac Sci Semlalia, Equipe Chim Coordinat & Catalyse, BP 2390, Marrakech, Morocco
[2] Univ Cadi Ayyad, Fac Sci Semlalia, Lab Chim Mol, BP 2390, Marrakech, Morocco
[3] Cadi Ayyad Univ, Fac Sci Semlalia, Phys Chem Mat & Environm Lab, Marrakech, Morocco
[4] Univ Neuchatel, Inst Chem, Neuchatel Platform Analyt Chem, Ave Bellevaux 51, CH-2000 Neuchatel, Switzerland
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2019年 / 1176卷
关键词：
Schiff base; Palladium complex; X-ray structure; Electrochemistry; DFT; TDDFT; EFFECTIVE CORE POTENTIALS; DENSITY-FUNCTIONAL THEORY; SCHIFF-BASES; COUPLING REACTIONS; MOLECULAR CALCULATIONS; COMPLEXES; LIGAND; CHEMISTRY; ENERGIES;
D O I：
10.1016/j.molstruc.2018.08.111
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A new complex N-(2-hydroxyethylamino)ethylsalicylaldiminato]-palladium(II) chloride [Pd(L)Cl] was synthesized by the reaction in ethanol of the Schiff base 2-(2-(2-hydroxyethylamino)ethylimino)methyl phenol (LH) and Li2PdCl4. The complex was characterized by H-1 NMR, C-13 NMR, FT-IR and UV-Vis spectroscopic techniques. The structure of the complex was confirmed by single-crystal X-ray structure analysis. The electrochemical properties of PdCl2 and [Pd(L)Cl] have been investigated by cyclic voltammetry. Additionally, the electronic structure, the solution spectrum and the redox property of [Pd(L)Cl] have been rationalized by DFT and TDDFT methods. (C) 2018 Elsevier B.V. All rights reserved.
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页码：703 / 710
页数：8
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