Baldeep K Sidhu, Issiah B Lozada, Rathiesh Pandian, Ibrahim Alfurayj, Clemens Burda, David E. Herbert
{"title":"Experimental and Computational Investigation of the Photophysical Properties of a Series of Luminescent D-A-D' and D-A-A' Pyrimidines","authors":"Baldeep K Sidhu, Issiah B Lozada, Rathiesh Pandian, Ibrahim Alfurayj, Clemens Burda, David E. Herbert","doi":"10.1002/cptc.202400216","DOIUrl":null,"url":null,"abstract":"Pyrimidines, a prominent isomer class of diazines, are promising molecular constituents of electron-deficient luminescent and hole-transport materials. Here, we report the fluorescence lifetimes and describe the electronic structures and character of low-lying emissive excited states of a series of synthetically accessible donor-acceptor-donor (D-A-D') and donor-acceptor-acceptor (D-A-A') type pyrimidines, including both all-organic and hybrid organic-organometallic analogues. We find that strategically varying the aryl substituents on a pyrimidine enables tuning of the character of the luminescent excited states from charge-transfer (CT) to locally excited (LE) states, which then differ in their sensitivity to their environment. This study suggests structural handles for controlling the photophysics of arylpyrimidines relevant to a variety of applications for luminescent materials.","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":null,"pages":null},"PeriodicalIF":3.0000,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ChemPhotoChem","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1002/cptc.202400216","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Pyrimidines, a prominent isomer class of diazines, are promising molecular constituents of electron-deficient luminescent and hole-transport materials. Here, we report the fluorescence lifetimes and describe the electronic structures and character of low-lying emissive excited states of a series of synthetically accessible donor-acceptor-donor (D-A-D') and donor-acceptor-acceptor (D-A-A') type pyrimidines, including both all-organic and hybrid organic-organometallic analogues. We find that strategically varying the aryl substituents on a pyrimidine enables tuning of the character of the luminescent excited states from charge-transfer (CT) to locally excited (LE) states, which then differ in their sensitivity to their environment. This study suggests structural handles for controlling the photophysics of arylpyrimidines relevant to a variety of applications for luminescent materials.