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Experimental and theoretical study of the rotational reorientation dynamics of 7-animocoumarin derivatives in polar solvents: hydrogen-bonding effects
Zhou, Panwang; Song, Peng; Liu, Jianyong; Han, Keli; He, Guozhong
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
2009
DOI10.1039/b910043a
Volume11Issue:41Pages:9440-9449
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordINTERMOLECULAR ELECTRON-TRANSFER ; COUMARIN LASER-DYES ; DENSITY-FUNCTIONAL THEORY ; EXCITED-STATE PROPERTIES ; DIELECTRIC FRICTION ; PHOTOPHYSICAL PROPERTIES ; ULTRAFAST DYNAMICS ; MOLECULAR ROTATION ; NONDIPOLAR PROBES ; UNUSUAL BEHAVIOR
AbstractThe rotational reorientation dynamics of 7-aminocoumarin derivatives with different alkylation degrees in methanol, dimethylformamide, and dimethyl sulfoxide have been investigated using femtosecond time-resolved stimulated emission pumping fluorescence depletion (FS TR SEP FD) spectroscopy. In addition to a long anisotropy decay time that accounts for the overall rotational relaxation of solutes, a short anisotropy decay time on the order of picoseconds or sub-picoseconds was also observed in hydrogen-bonding systems. Three types of hydrogen bonds involving the nitrogen lone pair, carbonyl group, and amino group of 7-aminocoumarin derivatives were denoted as types A, B, and C, respectively. Density functional theory (DFT) and time-dependent DFT (TDDFT) calculations were carried out to investigate the geometric structures of isolated coumarins and hydrogen-bonded complexes in the ground and excited states, respectively. According to our results and analysis, the rapid anisotropy decays observed here in hydrogen-bonding systems may be associated with the strengthening of hydrogen bonds B or C, or both in the excited state of hydrogen-bonded coumarin-solvent complexes, and are independent of the breaking of hydrogen bond A. The strengthening of hydrogen bond C in the excited state of 7-aminocoumarin-DMF and 7-aminocoumarin-DMSO complexes has been demonstrated theoretically for the first time. Further experimental studies would be crucial to confirm this observation.
Language英语
WOS IDWOS:000270795500016
Citation statistics
Cited Times:44[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/141455
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China
Recommended Citation
GB/T 7714
Zhou, Panwang,Song, Peng,Liu, Jianyong,et al. Experimental and theoretical study of the rotational reorientation dynamics of 7-animocoumarin derivatives in polar solvents: hydrogen-bonding effects[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2009,11(41):9440-9449.
APA Zhou, Panwang,Song, Peng,Liu, Jianyong,Han, Keli,&He, Guozhong.(2009).Experimental and theoretical study of the rotational reorientation dynamics of 7-animocoumarin derivatives in polar solvents: hydrogen-bonding effects.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,11(41),9440-9449.
MLA Zhou, Panwang,et al."Experimental and theoretical study of the rotational reorientation dynamics of 7-animocoumarin derivatives in polar solvents: hydrogen-bonding effects".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11.41(2009):9440-9449.
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