卤素增强的高效室温有机磷光材料：设计、理论见解和应用

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments Pub Date : 2025-06-03 DOI:10.1016/j.dyepig.2025.112939

Jinghe Weng, Shenggui Wen, Fengxian Liang, Yuyi Li, Xinran Cui, Xueming Li

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引用次数: 0

摘要

本研究以设计的7-（4-碘苯基）- 7h -二苯并[c，g]咔唑（DB-NCzI）和7-（4-碘苯基）- 7h -苯并[c]咔唑（DB-BCzI）为客体分子，在刚性二溴联苯衍生物（DBBPs）宿主基质中制备了一系列高效的有机室温磷光（RTP）材料。基于o- dbbp的系统表现出优异的RTP性能，其磷光寿命为408.05 ms，量子产率为45.40%。单晶分析和理论研究揭示了o-DBBP中丰富的C-Br⋯Br -c和C-H⋯Br非共价相互作用，以及具有分叉卤素键的独特交错填充结构，增强了分子间刚性和三重态激子约束。TD-DFT计算进一步表明，DB-NCzI具有多个高效的系统间交叉（ISC）通道和较大的自旋轨道耦合（SOC）常数，有助于增强RTP发射。该材料已成功应用于时间分辨防伪和信息加密，显示出巨大的安全应用潜力。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Halogen-enhanced highly efficient organic room temperature phosphorescent materials: Design, theoretical insights and applications

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Halogen-enhanced highly efficient organic room temperature phosphorescent materials: Design, theoretical insights and applications

In this work, a series of high-efficiency organic room-temperature phosphorescent (RTP) materials were developed by incorporating designed 7-(4-iodophenyl)-7H-dibenzo [c,g]carbazole (DB-NCzI) and 7-(4-iodophenyl)-7H-benzo [c]carbazole (DB-BCzI) as guest molecules into a rigid dibromobiphenyl derivatives (DBBPs) host matrix. The o-DBBP-based system exhibited superior RTP performance, with a phosphorescence lifetime of 408.05 ms and a quantum yield of 45.40 %. Single-crystal analysis and theoretical studies revealed abundant C–Br⋯Br–C and C–H⋯Br noncovalent interactions, and a unique staggered packing structure with bifurcated halogen bonds in o-DBBP that enhanced intermolecular rigidity and triplet exciton confinement. TD-DFT calculations further demonstrated that DB-NCzI features multiple efficient intersystem crossing (ISC) channels and large spin–orbit coupling (SOC) constants, contributing to enhanced RTP emission. The materials were successfully applied in time-resolved anti-counterfeiting and information encryption, showing great potential for security applications.

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来源期刊

Dyes and Pigments 工程技术-材料科学：纺织

CiteScore

8.20

自引率

13.30%

发文量

933

审稿时长

33 days

期刊介绍： Dyes and Pigments covers the scientific and technical aspects of the chemistry and physics of dyes, pigments and their intermediates. Emphasis is placed on the properties of the colouring matters themselves rather than on their applications or the system in which they may be applied. Thus the journal accepts research and review papers on the synthesis of dyes, pigments and intermediates, their physical or chemical properties, e.g. spectroscopic, surface, solution or solid state characteristics, the physical aspects of their preparation, e.g. precipitation, nucleation and growth, crystal formation, liquid crystalline characteristics, their photochemical, ecological or biological properties and the relationship between colour and chemical constitution. However, papers are considered which deal with the more fundamental aspects of colourant application and of the interactions of colourants with substrates or media. The journal will interest a wide variety of workers in a range of disciplines whose work involves dyes, pigments and their intermediates, and provides a platform for investigators with common interests but diverse fields of activity such as cosmetics, reprographics, dye and pigment synthesis, medical research, polymers, etc.