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Resonance Raman spectroscopic and density functional theory study of p-nitroacetophenone (PNAP)
Pei, Kemei; Ma, Yufang; Zheng, Xuming; Li, Haiyang; Xuming Zheng; Li HY(李海洋); Xuming Zheng; Li HY(李海洋)
刊名CHEMICAL PHYSICS LETTERS
2007-03-22
DOI10.1016/j.cplett.2007.02.013
437期:1-3页:153-158
收录类别SCI
文章类型Article
部门归属1
项目归属102
产权排名2;4
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
研究领域[WOS]Chemistry ; Physics
关键词[WOS]TIME PHOTODISSOCIATION DYNAMICS ; A-BAND ABSORPTION ; NITRO-COMPOUNDS ; CYCLOHEXANE SOLUTION ; BACTERIAL-SPORES ; MLCT TRANSITION ; TRIPLET-STATE ; BIOTRANSFORMATION ; SENSITIZATION ; REDUCTION
英文摘要Resonance Raman spectra of p-nitroacetophenone(PNAP) have been obtained in resonance with the charge-transfer (CT) band using 252.7, 266 and 273.9 nm in methanol solvent. The spectra indicate that the Franck-Condon region photodissociation dynamics have multidimensional character with motion mainly along the C=O stretching v(8)(1691 cm(-1)) and the benzene ring stretch v(10)(1593 cm(-1)). A preliminary resonance Raman intensity analysis was done and the results for PNAP were compared with nitrobenzene and aceptophenone. Our results indicate that -NO2 is more photoactive than -COCH3. The isomerization process of PNAP takes place somewhere after the wave packet leaves the Franck-Condon region. (c) 2007 Elsevier B.V. All rights reserved.
语种英语
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WOS记录号WOS:000245401200030
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/99843
专题中国科学院大连化学物理研究所
通讯作者Xuming Zheng; Li HY(李海洋); Xuming Zheng; Li HY(李海洋)
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
2.Zhejiang Univ, Minist Educ, Key Lab Adv Text Mat & Mfg Technol, Hangzhou 310018, Peoples R China
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Pei, Kemei,Ma, Yufang,Zheng, Xuming,et al. Resonance Raman spectroscopic and density functional theory study of p-nitroacetophenone (PNAP)[J]. CHEMICAL PHYSICS LETTERS,2007,437(1-3):153-158.
APA Pei, Kemei.,Ma, Yufang.,Zheng, Xuming.,Li, Haiyang.,Xuming Zheng.,...&李海洋.(2007).Resonance Raman spectroscopic and density functional theory study of p-nitroacetophenone (PNAP).CHEMICAL PHYSICS LETTERS,437(1-3),153-158.
MLA Pei, Kemei,et al."Resonance Raman spectroscopic and density functional theory study of p-nitroacetophenone (PNAP)".CHEMICAL PHYSICS LETTERS 437.1-3(2007):153-158.
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