赵建章

个人信息Personal Information

教授

博士生导师

硕士生导师

性别:男

毕业院校:吉林大学

学位:博士

所在单位:化工学院

学科:有机化学. 应用化学. 物理化学

办公地点:西部校区E座208房间

联系方式:0411-84986236

电子邮箱:zhaojzh@dlut.edu.cn

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Molecular Structure-Intersystem Crossing Relationship of Heavy-Atom-Free BODIPY Triplet Photosensitizers

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论文类型:期刊论文

发表时间:2015-06-05

发表刊物:JOURNAL OF ORGANIC CHEMISTRY

收录刊物:SCIE、EI、PubMed、Scopus

卷号:80

期号:11

页面范围:5958-5963

ISSN号:0022-3263

摘要:A thiophene-fused BODIPY chromophore displays a large triplet-state quantum yield (Phi(T) = 63.7%). In contrast, when the two thienyl moieties are not fused into the BODIPY core, intersystem crossing (ISC) becomes inefficient and (Phi(T) remains low (Phi(T) = 6.1%). First-principles calculations including spin-orbit coupling (SOC) were performed to quantify the ISC. We found larger SOC and smaller singlet-triplet energy gaps for the thiophene-fused BODIPY derivative. Our results are useful for studies of the photochemistry of organic chromophores.