Structural diversity of photoluminescent lanthanide(III) coordination compounds with an isothiazole derivative

IF 3.5 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Dalton Transactions Pub Date : 2025-04-22 DOI:10.1039/d5dt00127g

E. A. Sanzhenakova, K. S. Smirnova, I. P. Pozdnyakov, A. S. Berezin, V. I. Potkin, E. V. Lider

{"title":"Structural diversity of photoluminescent lanthanide(III) coordination compounds with an isothiazole derivative","authors":"E. A. Sanzhenakova, K. S. Smirnova, I. P. Pozdnyakov, A. S. Berezin, V. I. Potkin, E. V. Lider","doi":"10.1039/d5dt00127g","DOIUrl":null,"url":null,"abstract":"Two different series of europium(III), terbium(III) and gadolinium(III) complexes with 4,5-dichloroisothiazole-3-carboxylic acid (HL) were obtained. According to the data obtained from various analysis methods, the first type of coordination compounds with the general formula of [Ln(H2O)L2(OAc)]n was polymer chains, and the second type with the general formula of [Ln6(H2O)10L18] was hexanuclear complexes, with central atoms arranged similar to octahedrons. DFT calculations were used to determine the location of the electron density in HOMO/LUMO and the value of the triplet state energy of the ligand molecule. The highest luminescence quantum yield was observed in the case of the hexanuclear terbium(III) complex (24%) with a millisecond luminescence lifetime, while the hexanuclear europium(III) compound (96%) exhibited the highest value of color purity.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"2 1","pages":""},"PeriodicalIF":3.5000,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Dalton Transactions","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d5dt00127g","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}

引用次数: 0

Abstract

Two different series of europium(III), terbium(III) and gadolinium(III) complexes with 4,5-dichloroisothiazole-3-carboxylic acid (HL) were obtained. According to the data obtained from various analysis methods, the first type of coordination compounds with the general formula of [Ln(H₂O)L₂(OAc)]_n was polymer chains, and the second type with the general formula of [Ln₆(H₂O)₁₀L₁₈] was hexanuclear complexes, with central atoms arranged similar to octahedrons. DFT calculations were used to determine the location of the electron density in HOMO/LUMO and the value of the triplet state energy of the ligand molecule. The highest luminescence quantum yield was observed in the case of the hexanuclear terbium(III) complex (24%) with a millisecond luminescence lifetime, while the hexanuclear europium(III) compound (96%) exhibited the highest value of color purity.

Abstract Image

查看原文本刊更多论文

具有异噻唑衍生物的光致发光镧系（III）配位化合物的结构多样性

得到了铕（III）、铽（III）和钆（III）与4,5-二氯异噻唑-3-羧酸（HL）配合物的两个不同系列。根据各种分析方法得到的数据，通式为[Ln(H2O)L2(OAc)]n的第一类配位化合物为聚合物链，通式为[Ln6(H2O)10L18]的第二类配位化合物为中心原子排列类似八面体的六核配合物。利用DFT计算确定了HOMO/LUMO中电子密度的位置和配体分子的三重态能值。六核铽（III）配合物的发光量子产率最高（24%），发光寿命为毫秒，而六核铕（III）配合物的色纯度最高（96%）。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Dalton Transactions 化学-无机化学与核化学

CiteScore

6.60

自引率

7.50%

发文量

1832

审稿时长

1.5 months

期刊介绍： Dalton Transactions is a journal for all areas of inorganic chemistry, which encompasses the organometallic, bioinorganic and materials chemistry of the elements, with applications including synthesis, catalysis, energy conversion/storage, electrical devices and medicine. Dalton Transactions welcomes high-quality, original submissions in all of these areas and more, where the advancement of knowledge in inorganic chemistry is significant.