Zhi-Lei Chai, Li-Tong, Hai-Wei Zhang, Li Wang, Wen-Kui Dong
Salamo-type ligand H2L was designed and synthesized and reacted with Cu (II) and Zn (II) acetate, respectively, to obtain two binuclear Cu (II) and Zn (II) complexes: [Cu2(L)2]·2CH3OH (1) and [Zn2(L)2] (2) having the same coordination number but distinct geometries. Complex 1 is a Cu (II) complex containing two crystalline ethanol molecules, where two Cu (II) atoms are surrounded by two utterly deprotonated (L)2− parts, forming slightly twisted tetragonal pyramidal configurations of pentacoordinate. In complex 2, two utterly deprotonated (L)2− parts surround two Zn (II) atoms, forming pentadentate twisted triangular bipyramidal configurations. The complexes were elucidated via IR analyses and ultraviolet spectroscopy. Using DFT theoretical calculation, MEPs, IRI, and Hirshfeld surface analysis to investigate further the molecular interactions and reaction sites. Ultimately, the fluorescence characteristics of H2L and its complexes 1 and 2 were discussed.
设计并合成了萨拉莫型配体 H2L,并分别与 Cu (II) 和 Zn (II) 乙酸酯反应,得到了两种双核 Cu (II) 和 Zn (II) 配合物:[Cu2(L)2]-2CH3OH (1) 和 [Zn2(L)2] (2),它们具有相同的配位数,但几何结构不同。配合物 1 是含有两个结晶乙醇分子的 Cu (II) 配合物,其中两个 Cu (II) 原子被两个完全去质子化的 (L)2- 部分包围,形成略微扭曲的五配位四方金字塔构型。在复合物 2 中,两个完全去质子化的 (L)2- 部分环绕着两个 Zn (II) 原子,形成五配位的扭曲三角双锥构型。这些配合物通过红外分析和紫外光谱得到了阐明。利用 DFT 理论计算、MEPs、IRI 和 Hirshfeld 表面分析进一步研究了分子相互作用和反应位点。最后,讨论了 H2L 及其配合物 1 和 2 的荧光特性。
{"title":"Structural, spectroscopic, fluorescent, and computational studies of binuclear copper (II) and zinc (II) complexes with an asymmetric salamo-type ligand","authors":"Zhi-Lei Chai, Li-Tong, Hai-Wei Zhang, Li Wang, Wen-Kui Dong","doi":"10.1002/aoc.7659","DOIUrl":"10.1002/aoc.7659","url":null,"abstract":"<p>Salamo-type ligand H<sub>2</sub>L was designed and synthesized and reacted with Cu (II) and Zn (II) acetate, respectively, to obtain two binuclear Cu (II) and Zn (II) complexes: [Cu<sub>2</sub>(L)<sub>2</sub>]·2CH<sub>3</sub>OH (<b>1</b>) and [Zn<sub>2</sub>(L)<sub>2</sub>] (<b>2</b>) having the same coordination number but distinct geometries. Complex <b>1</b> is a Cu (II) complex containing two crystalline ethanol molecules, where two Cu (II) atoms are surrounded by two utterly deprotonated (L)<sup>2−</sup> parts, forming slightly twisted tetragonal pyramidal configurations of pentacoordinate. In complex <b>2</b>, two utterly deprotonated (L)<sup>2−</sup> parts surround two Zn (II) atoms, forming pentadentate twisted triangular bipyramidal configurations. The complexes were elucidated via IR analyses and ultraviolet spectroscopy. Using DFT theoretical calculation, MEPs, IRI, and Hirshfeld surface analysis to investigate further the molecular interactions and reaction sites. Ultimately, the fluorescence characteristics of H<sub>2</sub>L and its complexes <b>1</b> and <b>2</b> were discussed.</p>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"38 11","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142187880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}