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Excited State Intramolecular Proton Transfer of 1-Hydroxyanthraquinone
Sun, Si-mei; Zhang, Song; Liu, Kai; Wang, Ya-ping; Zhou, Miao-miao; Zhang, Bing
2015-10-01
Source PublicationCHINESE JOURNAL OF CHEMICAL PHYSICS
Volume28Issue:5Pages:545-551
SubtypeArticle
AbstractThe 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.
KeywordProton Transfer Conical Intersection Transient Absorption Spectroscopy 1-hydroxyanthraquinone
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.1063/1674-0068/28/cjcp1504078
WOS KeywordRESOLVED FLUORESCENCE SPECTROSCOPY ; FEMTOSECOND TRANSIENT ABSORPTION ; INTERNAL-CONVERSION ; TRANSFER DYNAMICS ; COHERENT ; 1-(ACYLAMINO)ANTHRAQUINONES ; HYDROXYANTHRAQUINONES ; RELAXATION ; GENERATION ; MOLECULES
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS IDWOS:000364503400002
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.wipm.ac.cn/handle/112942/9051
Collection原子分子光物理研究部
AffiliationChinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China
Recommended Citation
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.
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