{"title":"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","authors":"Apurba Sau Mondal, Rahul Naskar, Chandan Kumar Manna, Tapan Kumar Mondal","doi":"10.1007/s12039-022-02080-y","DOIUrl":null,"url":null,"abstract":"<div><p>An octahedral Mn(II) complex, [Mn(L)<sub>2</sub>] 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)<sub>2</sub>] 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)<sub>2</sub>]. Cyclic voltammogram of [Mn(L)<sub>2</sub>] in acetonitrile exhibit Mn(II)/Mn(III) oxidation and ligand-based reduction couples with reference to Ag/AgCl reference electrode.</p><h3>Graphical abstract</h3><p>A pseudo octahedral Mn(II) complex, [Mn(L)<sub>2</sub>] 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)<sub>2</sub>] in acetonitrile exhibits Mn(II)/Mn(III) oxidation and ligand based reduction couples in acetonitrile.\n</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":50242,"journal":{"name":"Journal of Chemical Sciences","volume":"134 3","pages":""},"PeriodicalIF":1.7000,"publicationDate":"2022-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s12039-022-02080-y.pdf","citationCount":"0","resultStr":"{\"title\":\"Manganese(II) complex with ONS donor redox non-innocent azo-thioether pincer ligand: synthesis, X-ray structure, electrochemistry and DFT computation\",\"authors\":\"Apurba Sau Mondal, Rahul Naskar, Chandan Kumar Manna, Tapan Kumar Mondal\",\"doi\":\"10.1007/s12039-022-02080-y\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>An octahedral Mn(II) complex, [Mn(L)<sub>2</sub>] 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)<sub>2</sub>] 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)<sub>2</sub>]. Cyclic voltammogram of [Mn(L)<sub>2</sub>] in acetonitrile exhibit Mn(II)/Mn(III) oxidation and ligand-based reduction couples with reference to Ag/AgCl reference electrode.</p><h3>Graphical abstract</h3><p>A pseudo octahedral Mn(II) complex, [Mn(L)<sub>2</sub>] 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)<sub>2</sub>] in acetonitrile exhibits Mn(II)/Mn(III) oxidation and ligand based reduction couples in acetonitrile.\\n</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>\",\"PeriodicalId\":50242,\"journal\":{\"name\":\"Journal of Chemical Sciences\",\"volume\":\"134 3\",\"pages\":\"\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2022-08-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://link.springer.com/content/pdf/10.1007/s12039-022-02080-y.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Sciences\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s12039-022-02080-y\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"Chemistry\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Sciences","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s12039-022-02080-y","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Chemistry","Score":null,"Total":0}
Manganese(II) complex with ONS donor redox non-innocent azo-thioether pincer ligand: synthesis, X-ray structure, electrochemistry and DFT computation
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.
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.
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