Excited State Intramolecular Proton Transfer of 1-Hydroxyanthraquinone

CORC > 武汉物理与数学研究所 > 中国科学院武汉物理与数学研究所 > 原子分子光物理研究部

	Excited State Intramolecular Proton Transfer of 1-Hydroxyanthraquinone
	Sun, Si-mei; Zhang, Song; Liu, Kai; Wang, Ya-ping; Zhou, Miao-miao; Zhang, Bing
刊名	CHINESE JOURNAL OF CHEMICAL PHYSICS
	2015-10-01
卷号	28 期号:5 页码:545-551
关键词	Proton transfer Conical intersection Transient absorption spectroscopy 1-Hydroxyanthraquinone
英文摘要	The excited state intra-molecular proton transfer dynamics of 1-hydroxyanthraquinone in solution are investigated by femtosecond transient absorption spectroscopy and quantum chemistry calculations. Two characteristic bands of excited state absorption and stimulated emission are observed in transient absorption spectra with the excitation by the pump wavelength of 400 nm. From the delayed stimulated emission signal, the time scale of the intra-molecular proton transfer is determined to be about 32 fs. The quantum chemistry calculations show that the molecular orbits and the order of the S-2 and S-1 states are reversal and a conical intersection is demonstrated to exist along the proton transfer coordinate. After proton transfer, the second excited state of tautomer populated via the conical intersection undergoes the internal conversion with similar to 200 fs and the following intermolecular energy relaxation with similar to 16 ps. The longer component 300 ps can be explained in terms of the relaxation from excited-state tautomer to its ground state. From our observations, two proton transfer pathways via a conical intersection are proposed and the dominated one preserves the molecular orbits.
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Physics, Atomic, Molecular & Chemical
研究领域[WOS]	Physics
关键词[WOS]	RESOLVED FLUORESCENCE SPECTROSCOPY ; FEMTOSECOND TRANSIENT ABSORPTION ; INTERNAL-CONVERSION ; TRANSFER DYNAMICS ; COHERENT ; 1-(ACYLAMINO)ANTHRAQUINONES ; HYDROXYANTHRAQUINONES ; RELAXATION ; GENERATION ; MOLECULES
收录类别	SCI
语种	英语
WOS记录号	WOS:000364503400002
公开日期	2016-05-09
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/9051]
专题	武汉物理与数学研究所_原子分子光物理研究部
作者单位	Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China
推荐引用方式 GB/T 7714	Sun, Si-mei,Zhang, Song,Liu, Kai,et al. Excited State Intramolecular Proton Transfer of 1-Hydroxyanthraquinone[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2015,28(5):545-551.
APA	Sun, Si-mei,Zhang, Song,Liu, Kai,Wang, Ya-ping,Zhou, Miao-miao,&Zhang, Bing.(2015).Excited State Intramolecular Proton Transfer of 1-Hydroxyanthraquinone.CHINESE JOURNAL OF CHEMICAL PHYSICS,28(5),545-551.
MLA	Sun, Si-mei,et al."Excited State Intramolecular Proton Transfer of 1-Hydroxyanthraquinone".CHINESE JOURNAL OF CHEMICAL PHYSICS 28.5(2015):545-551.