Manganese(II) complex with ONS donor redox non-innocent azo-thioether pincer ligand: synthesis, X-ray structure, electrochemistry and DFT computation

IF 1.7 4区化学 Q3 Chemistry Journal of Chemical Sciences Pub Date : 2022-08-02 DOI:10.1007/s12039-022-02080-y

Apurba Sau Mondal, Rahul Naskar, Chandan Kumar Manna, Tapan Kumar Mondal

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Abstract

An octahedral Mn(II) complex, [Mn(L)₂] is synthesized with redox active ONS donor azo-thioether pincer ligand, 3-(2-(2-(methylthio)phenyl)hydrazono)pentane-2,4-dione (HL). The complex is thoroughly characterized by means of several spectroscopic methods. The geometry of the complex is authenticated by the single-crystal X-ray diffraction technique. X-ray structure of [Mn(L)₂] revealed that HL is coordinated to three adjacent sites of Mn through thioether-S, azo-N, and enoloic-O atoms in meridional configuration. Theoretical calculation by DFT/B3LYP is carried out to interpret the electronic structure of [Mn(L)₂]. Cyclic voltammogram of [Mn(L)₂] in acetonitrile exhibit Mn(II)/Mn(III) oxidation and ligand-based reduction couples with reference to Ag/AgCl reference electrode.

Graphical abstract

A pseudo octahedral Mn(II) complex, [Mn(L)₂] with ONS donor azo-thioether pincer ligand (HL) has been synthesized and thoroughly characterized by spectroscopic techniques. Electronic and X-ray structures of the complex have been studied by experimental results abetted with theoretical computation. Cyclic voltammogram of [Mn(L)₂] in acetonitrile exhibits Mn(II)/Mn(III) oxidation and ligand based reduction couples in acetonitrile.

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具有ONS供体氧化还原非无害偶氮硫醚螯合体的锰(II)配合物:合成、x射线结构、电化学和DFT计算

以具有氧化还原活性的ONS供体偶氮硫醚螯合配体3-(2-(2-(甲基硫)苯基)腙)戊烷-2,4-二酮(HL)合成了八面体Mn(II)配合物[Mn(L)2]。用几种光谱方法对该配合物进行了彻底的表征。通过单晶x射线衍射技术验证了该配合物的几何形状。[Mn(L)2]的x射线结构表明，HL通过硫醚- s、偶氮- n和烯旋- o原子以子午构型与Mn的三个相邻位点配位。用DFT/B3LYP理论计算解释了[Mn(L)2]的电子结构。[Mn(L)2]在乙腈中的循环伏安表现为Mn(II)/Mn(III)氧化和配体基还原偶联，参考电极为Ag/AgCl。合成了一种具有ONS供体偶氮硫醚螯合配体(HL)的伪八面体Mn(II)配合物[Mn(L)2]，并用光谱技术对其进行了表征。通过理论计算和实验结果研究了该配合物的电子和x射线结构。[Mn(L)2]在乙腈中的循环伏安表现为Mn(II)/Mn(III)氧化和配体基还原偶对。

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来源期刊

Journal of Chemical Sciences Chemistry-General Chemistry

CiteScore

2.90

自引率

5.90%

发文量

107

审稿时长

12 months

期刊介绍： Journal of Chemical Sciences is a monthly journal published by the Indian Academy of Sciences. It formed part of the original Proceedings of the Indian Academy of Sciences – Part A, started by the Nobel Laureate Prof C V Raman in 1934, that was split in 1978 into three separate journals. It was renamed as Journal of Chemical Sciences in 2004. The journal publishes original research articles and rapid communications, covering all areas of chemical sciences. A significant feature of the journal is its special issues, brought out from time to time, devoted to conference symposia/proceedings in frontier areas of the subject, held not only in India but also in other countries.