DICP OpenIR
学科主题物理化学
Hydrogen Bonding Effects on the Photophysical Properties of 2,3-dihydro-3-keto-1H-pyrido[3,2,1-kl]phenothiazine
Yang, Song-qiu1,2; He, Guo-zhong1; Yang SQ(羊送球)
关键词Time-dependent Density Functional Theory 2 Femtosecond Transient Absorption Spectroscopy 3-dihydro-3-keto-1h-pyrido[3 Hydrogen Bonding Effect 2 1-kl]Phenothiazine
刊名CHINESE JOURNAL OF CHEMICAL PHYSICS
2012-06-27
DOI10.1088/1674-0068/25/03/254-260
25期:3页:254-260
收录类别SCI
文章类型Article
部门归属11
项目归属1101
产权排名1,1
类目[WOS]Physics, Atomic, Molecular & Chemical
研究领域[WOS]Physics
关键词[WOS]INTRAMOLECULAR CHARGE-TRANSFER ; EXCITED-STATE DYNAMICS ; PROTON-TRANSFER ; RADIATIONLESS DEACTIVATION ; MOLECULAR-MECHANISM ; ULTRAFAST DYNAMICS ; SINGLET-STATE ; FLUORESCENCE ; ALCOHOLS ; FLAVIN
英文摘要Time-dependent density functional theory (TDDFT) and femtosecond transient absorption spectroscopy were used to investigate the photophysical properties of 2,3-dihydro-3-keto-1H-pyrido[3,2,1-kl]phenothiazine (PTZ4) and 3-keto-1H-pyrido[3,2,1-kl]phenothiazine (PTZ5). The calculated results obtained from TDDFT suggest that the red-shifts of the absorption spectra of these two fluorophores in methanol are due to the formation of hydrogen-bonded complexes at the ground state. Four conformers of PTZ4 were obtained by TDDFT. The two fluorescence peaks of PTZ4 in tetrahydrofuran (THF) came from the ICT states of the four conformers. The fluorescence of PTZ4 in THF showed a dependence on the excitation wavelength because of butterfly bending. The excited state dynamics of PTZ4 in THF and methanol were obtained by transient absorption spectroscopy. The lifetime of the excited PTZ4 in methanol was 53.8 ps, and its relaxation from the LE state to the ICT state was completed within several picoseconds. The short lifetime of excited PTZ4 in methanol was due to the formation of out-of-plane model hydrogen bonds between PTZ4 and methanol at the excited state.
语种英语
WOS记录号WOS:000306535500002
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/118390
专题中国科学院大连化学物理研究所
通讯作者Yang SQ(羊送球)
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China
推荐引用方式
GB/T 7714
Yang, Song-qiu,He, Guo-zhong,Yang SQ. Hydrogen Bonding Effects on the Photophysical Properties of 2,3-dihydro-3-keto-1H-pyrido[3,2,1-kl]phenothiazine[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2012,25(3):254-260.
APA Yang, Song-qiu,He, Guo-zhong,&羊送球.(2012).Hydrogen Bonding Effects on the Photophysical Properties of 2,3-dihydro-3-keto-1H-pyrido[3,2,1-kl]phenothiazine.CHINESE JOURNAL OF CHEMICAL PHYSICS,25(3),254-260.
MLA Yang, Song-qiu,et al."Hydrogen Bonding Effects on the Photophysical Properties of 2,3-dihydro-3-keto-1H-pyrido[3,2,1-kl]phenothiazine".CHINESE JOURNAL OF CHEMICAL PHYSICS 25.3(2012):254-260.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
20125grWcMxFlb.PDF(501KB) 开放获取--请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Yang, Song-qiu]的文章
[He, Guo-zhong]的文章
[羊送球]的文章
百度学术
百度学术中相似的文章
[Yang, Song-qiu]的文章
[He, Guo-zhong]的文章
[羊送球]的文章
必应学术
必应学术中相似的文章
[Yang, Song-qiu]的文章
[He, Guo-zhong]的文章
[羊送球]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。