Alexander C. Brannan, Nguyen Le Phuoc, Mikko Linnolahti and Alexander S. Romanov
{"title":"cf3取代卡宾-金属-酰胺配合物的深蓝色热激活延迟荧光","authors":"Alexander C. Brannan, Nguyen Le Phuoc, Mikko Linnolahti and Alexander S. Romanov","doi":"10.1039/D5CP00824G","DOIUrl":null,"url":null,"abstract":"<p >A gold-based carbene–metal–amides (CMA) complex, <strong>BICAuBGCF3</strong>, with a 2-(trifluoromethyl)-benzoguanidine amide (<strong>L</strong>) ligand was prepared in good yields and characterized. The CF<small><sub>3</sub></small>-substituted amide donor ligand resulted in a 0.27 eV stabilization of the highest occupied molecular orbital (HOMO) and a wide energy gap of 2.97 eV. In fluid media, the complex experiences dynamic behavior between two isomeric forms, which reduces the blue luminescence quantum yield to 43%. In the solid state, the complex shows bright deep-blue thermally activated delayed fluorescence at 432 nm with 60% luminescence quantum yield owing to a small singlet triplet energy gap (Δ<em>E</em><small><sub>ST</sub></small>) down to 54 meV. Radiative rates (<em>k</em><small><sub>r</sub></small>) were calculated to be up to 1.4 × 10<small><sup>6</sup></small> s<small><sup>−1</sup></small> in amorphous polystyrene media, demonstrating the <strong>BICAuBGCF3</strong> complex as a p<small><sub><em>r</em></sub></small>omising material for optoelectronic applications.</p>","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":" 27","pages":" 14342-14349"},"PeriodicalIF":2.9000,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/cp/d5cp00824g?page=search","citationCount":"0","resultStr":"{\"title\":\"Deep-blue thermally activated delayed fluorescence of a CF3-substituted carbene–metal–amide complex†\",\"authors\":\"Alexander C. Brannan, Nguyen Le Phuoc, Mikko Linnolahti and Alexander S. Romanov\",\"doi\":\"10.1039/D5CP00824G\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >A gold-based carbene–metal–amides (CMA) complex, <strong>BICAuBGCF3</strong>, with a 2-(trifluoromethyl)-benzoguanidine amide (<strong>L</strong>) ligand was prepared in good yields and characterized. The CF<small><sub>3</sub></small>-substituted amide donor ligand resulted in a 0.27 eV stabilization of the highest occupied molecular orbital (HOMO) and a wide energy gap of 2.97 eV. In fluid media, the complex experiences dynamic behavior between two isomeric forms, which reduces the blue luminescence quantum yield to 43%. In the solid state, the complex shows bright deep-blue thermally activated delayed fluorescence at 432 nm with 60% luminescence quantum yield owing to a small singlet triplet energy gap (Δ<em>E</em><small><sub>ST</sub></small>) down to 54 meV. Radiative rates (<em>k</em><small><sub>r</sub></small>) were calculated to be up to 1.4 × 10<small><sup>6</sup></small> s<small><sup>−1</sup></small> in amorphous polystyrene media, demonstrating the <strong>BICAuBGCF3</strong> complex as a p<small><sub><em>r</em></sub></small>omising material for optoelectronic applications.</p>\",\"PeriodicalId\":99,\"journal\":{\"name\":\"Physical Chemistry Chemical Physics\",\"volume\":\" 27\",\"pages\":\" 14342-14349\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2025-06-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://pubs.rsc.org/en/content/articlepdf/2025/cp/d5cp00824g?page=search\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physical Chemistry Chemical Physics\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.rsc.org/en/content/articlelanding/2025/cp/d5cp00824g\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Chemistry Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2025/cp/d5cp00824g","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Deep-blue thermally activated delayed fluorescence of a CF3-substituted carbene–metal–amide complex†
A gold-based carbene–metal–amides (CMA) complex, BICAuBGCF3, with a 2-(trifluoromethyl)-benzoguanidine amide (L) ligand was prepared in good yields and characterized. The CF3-substituted amide donor ligand resulted in a 0.27 eV stabilization of the highest occupied molecular orbital (HOMO) and a wide energy gap of 2.97 eV. In fluid media, the complex experiences dynamic behavior between two isomeric forms, which reduces the blue luminescence quantum yield to 43%. In the solid state, the complex shows bright deep-blue thermally activated delayed fluorescence at 432 nm with 60% luminescence quantum yield owing to a small singlet triplet energy gap (ΔEST) down to 54 meV. Radiative rates (kr) were calculated to be up to 1.4 × 106 s−1 in amorphous polystyrene media, demonstrating the BICAuBGCF3 complex as a promising material for optoelectronic applications.
期刊介绍：
Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions.
The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
