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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：中科院大连化学物理研究所
学位：博士
所在单位：物理学院
学科：原子与分子物理. 光学
电子邮箱：mdchen@dlut.edu.cn
A TDDFT study on the singlet and triplet excited-state hydrogen bonding and proton transfer of 10-hydroxybenzo[h]quinoline (HBQ) and 7,9-diiodo-10-hydroxybenzo[h]quinoline (DIHBQ)
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论文类型：期刊论文
发表时间：2011-08-16
发表刊物：CHEMICAL PHYSICS LETTERS
收录刊物：SCIE、EI
卷号：512
期号：1-3
页面范围：35-39
ISSN号：0009-2614
摘要：The singlet and triplet excited state as well as the influence of an iodine on the steady-spectra of 10-hydroxybenzo[h]quinoline (HBQ) and 7,9-diiodo-10-hydroxybenzo[h]quinoline (DIHBQ) were investigated using theoretical approach. For the HBQ and DIHBQ, only enol conformation exists in the singlet excited state, whereas there are two hydrogen bonded conformations in the triplet excited state: enol- and keto-tautomer conformation. The enol phosphorescence peak of HBQ which has not been detected in experiments is at 669 nm. The phosphorescence spectrum of DIHBQ (lambda(max) = 692 nm) may be the enol phosphorescence, which was assigned as keto-tautomer phosphorescence in the previous study. (C) 2011 Elsevier B. V. All rights reserved.