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个人信息Personal Information
教授
博士生导师
硕士生导师
主要任职：中国化学会创始会士、常务理事，中国化工学会会士
性别：男
毕业院校：大连理工大学
学位：博士
所在单位：化工学院
学科：应用化学. 精细化工. 化学生物学
办公地点：大连理工大学西部校区知顺楼F-202#
http://peng-group.dlut.edu.cn/
联系方式：大连理工大学西部校区知顺楼F-202 辽宁省大连市高新区凌工路2号，大连116024 课题组网址：http://peng-group.dlut.edu.cn/ E-mail: pengxj@dlut.edu.cn
电子邮箱：pengxj@dlut.edu.cn
Theoretical and experimental study on the intramolecular charge transfer excited state of the new highly fluorescent terpyridine compound
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论文类型：期刊论文
发表时间：2009-10-15
发表刊物：SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
收录刊物：SCIE、EI、Scopus
卷号：74
期号：3
页面范围：753-757
ISSN号：1386-1425
关键字：Excited state; Twisted intramolecular charge transfer; Relaxation dynamics; Fluorescence spectra
摘要：Experimental and theoretical methods have been used to investigate the relaxation dynamics and photophysical properties of the donor-acceptor compound 4'-(4-N,N-diphenylaminophenyl)-2,2':6',2 ''-terpyridine (DPAPT), a compound which is found to exhibit efficient intramolecular charge transfer emission in polar solvents with relatively large Stokes shifts and strong solvatochromism. The difference between the ground and excited state dipole moments (Delta mu) is estimated to be 13.7 D on the basis of Lippert-Mataga models. To gain insight into the relaxation dynamics of DPAPT in the excited state, the potential energy Curves for conformational relaxation are calculated. From the frontier molecular orbital (MO) pictures at the geometry of the twisted ICT excited state, the intramolecular charger transfer mainly takes place from HOMO (triphenylamine) to LUMO (terpyridine) in this donor-acceptor system. (C) 2009 Elsevier B.V. All rights reserved.