Tuning Covalent Bonding in Znic-Based Hybrid Halides towards Tunable Room-Temperature Phosphorescence

IF 7.6 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Chemical Science Pub Date : 2025-04-10 DOI:10.1039/d5sc00931f

Yibo Cui, Jiawei Lin, Kunjie Liu, Yuhe Shao, Dong Zhao, Zhongnan Guo, Jing Zhao, Zhiguo Xia, Quanlin Liu

{"title":"Tuning Covalent Bonding in Znic-Based Hybrid Halides towards Tunable Room-Temperature Phosphorescence","authors":"Yibo Cui, Jiawei Lin, Kunjie Liu, Yuhe Shao, Dong Zhao, Zhongnan Guo, Jing Zhao, Zhiguo Xia, Quanlin Liu","doi":"10.1039/d5sc00931f","DOIUrl":null,"url":null,"abstract":"Organic-inorganic metal halides with tunable and state room-temperature phosphorescence (RTP) properties receive broad interests in advanced luminescent materials. Herein, 2-(methylamino)pyridine (MAP), 2-[(methylamino)methyl]pyridine (MAMP), and 2-(2-methylaminoethyl)pyridine (MAEP) were designed and hybridized with Zn2+ and Cl-/Br-, yielding 11 hybrid materials. MAP-based compounds, with a narrow bandgap (3.57 eV), exhibit limited RTP due to inefficient intersystem crossing (ISC) and unstable triplet excitons. In contrast, MAMP (4.49 eV) and MAEP (4.50 eV)-based compounds achieve enhanced RTP through bandgap alignment with Zn halides, enabling efficient energy transfer, ISC, and triplet exciton stabilization via strong hydrogen bonding and π-conjugation effects. Covalent bonding in MAMP and MAEP compounds provides greater rigidity and exciton stability than hydrogen-bonded systems, resulting in prolonged afterglow durations. While Br- bonding enhances ISC and spin-orbit coupling (SOC), and the weak interactions increase non-radiative decay, further reducing afterglow duration. Density functional theory calculations confirm the enhanced SOC in MAMP and MAEP compounds, further improving RTP efficiency. This work demonstrates the precise control of RTP properties, highlighting the potential in advanced anti-counterfeiting and emerging photonics applications.","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":"35 1","pages":""},"PeriodicalIF":7.6000,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Science","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d5sc00931f","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

Organic-inorganic metal halides with tunable and state room-temperature phosphorescence (RTP) properties receive broad interests in advanced luminescent materials. Herein, 2-(methylamino)pyridine (MAP), 2-[(methylamino)methyl]pyridine (MAMP), and 2-(2-methylaminoethyl)pyridine (MAEP) were designed and hybridized with Zn2+ and Cl-/Br-, yielding 11 hybrid materials. MAP-based compounds, with a narrow bandgap (3.57 eV), exhibit limited RTP due to inefficient intersystem crossing (ISC) and unstable triplet excitons. In contrast, MAMP (4.49 eV) and MAEP (4.50 eV)-based compounds achieve enhanced RTP through bandgap alignment with Zn halides, enabling efficient energy transfer, ISC, and triplet exciton stabilization via strong hydrogen bonding and π-conjugation effects. Covalent bonding in MAMP and MAEP compounds provides greater rigidity and exciton stability than hydrogen-bonded systems, resulting in prolonged afterglow durations. While Br- bonding enhances ISC and spin-orbit coupling (SOC), and the weak interactions increase non-radiative decay, further reducing afterglow duration. Density functional theory calculations confirm the enhanced SOC in MAMP and MAEP compounds, further improving RTP efficiency. This work demonstrates the precise control of RTP properties, highlighting the potential in advanced anti-counterfeiting and emerging photonics applications.

查看原文本刊更多论文

调谐 Znic 基杂化卤化物中的共价键，实现可调谐室温磷光

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

Chemical Science CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

14.40

自引率

4.80%

发文量

1352

审稿时长

2.1 months

期刊介绍： Chemical Science is a journal that encompasses various disciplines within the chemical sciences. Its scope includes publishing ground-breaking research with significant implications for its respective field, as well as appealing to a wider audience in related areas. To be considered for publication, articles must showcase innovative and original advances in their field of study and be presented in a manner that is understandable to scientists from diverse backgrounds. However, the journal generally does not publish highly specialized research.