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学科主题: 物理化学
题名: Initial Processes of Proton Transfer in Salicylideneaniline Studied by Time-Resolved Photoelectron Spectroscopy
作者: Sekikawa, Taro1, 2;  Schalk, Oliver1, 3, 4;  Wu, Guorong1, 5;  Boguslavskiy, Andrey E.1;  Stolow, Albert1
通讯作者: Taro Sekikawa
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2013-04-11
DOI: 10.1021/jp4016036
卷: 117, 期:14, 页:2971-2979
收录类别: SCI
合作性质: 
文章类型: Article
部门归属: 11
项目归属: 1102
产权排名: 待补充
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
资助者: 5,3
研究领域[WOS]: Chemistry ;  Physics
英文摘要: Excited-state intramolecular proton transfer (ESIPT) in salicylideneaniline (SA) and selected derivatives substituted in the para position of the anilino group have been investigated by femtosecond time-resolved photoelectron spectroscopy (TRPES) and time-dependent density functional theory (TDDFT). SA has a twisted structure at the energetic minimum of the ground state, but ESIPT is assumed to take place through a planar structure, although this has not been fully established. The TRPES studies revealed that the excited-state dynamics within the S-1 band varied significantly with excitation wavelength. At finite temperatures, the ground state was found to sample a broad range of torsional angles, from planar to twisted. At lower photon energies (370 nm), only the planar ground-state molecules were excited, and the excited-state reaction took place within 50 fs. At higher energies (350 and 330 nm), predominantly twisted ground-state molecules were excited: they had to planarize before ESIPT could occur. This process was found to be slower in methylated SA but did not change significantly in the brominated and nitrated SAs. These substitution effects on the decay dynamics can be explained by modifications of the potential barriers, as predicted by the TDDFT calculations, and support the mechanism of a twisting motion of the anilino ring prior to ESIPT. The contribution of another pathway leading to internal conversion within the enol form was found to be minor at the excitation wavelengths considered here.
关键词[WOS]: ULTRAFAST PHOTOINDUCED PROCESSES ;  PHOTOCHROMIC SCHIFF-BASES ;  EXCITED-STATE DYNAMICS ;  SOLID-STATE ;  FEMTOSECOND FLUORESCENCE ;  N-SALICYLIDENEANILINE ;  ABSORPTION ;  2-(2'-HYDROXYPHENYL)BENZOTHIAZOLE ;  TRANSIENT ;  CRYSTALS
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000317551400010
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/119207
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Natl Res Council Canada, Ottawa, ON K1A 0R6, Canada
2.Hokkaido Univ, Dept Appl Phys, Kita Ku, Sapporo, Hokkaido 0608628, Japan
3.Stockholm Univ, Alba Nova Univ Ctr, SE-10691 Stockholm, Sweden
4.Univ Munich, Lehrstuhl BioMol Opt, D-80538 Munich, Germany
5.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China

Recommended Citation:
Sekikawa, Taro,Schalk, Oliver,Wu, Guorong,et al. Initial Processes of Proton Transfer in Salicylideneaniline Studied by Time-Resolved Photoelectron Spectroscopy[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2013,117(14):2971-2979.
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