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Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation
Cheng, Shibo1,2; Song, Peng1,2; Yang, Songqiu1,2; Yin, Hongming1; Han, Keli1; Yin HM(尹鸿鳴)
刊名PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2010
DOI10.1039/c002270e
12期:31页:9068-9075
收录类别SCI
文章类型Article
部门归属11
项目归属1101
产权排名1;1
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]POLARIZABLE CONTINUUM MODEL ; AROMATIC NITRO-COMPOUNDS ; GAS-PHASE ; ABSORPTION-SPECTROSCOPY ; TRIPLET-STATE ; MOLECULES ; PHOTOCHEMISTRY ; PHOTOLYSIS ; 2-NITROBENZALDEHYDE ; 1-NITRONAPHTHALENE
英文摘要The fluorescence and phosphorescence emission studies have been performed to understand the photochemistry of o-nitrobenzaldehyde in solution upon photoexcitation to the first excited singlet state (S-1). The presence of an energy barrier in the S-1-state hydrogen transfer potential energy surface is determined experimentally through the observed dual fluorescence emission, and the barrier height is estimated to be about 84-87 kcal mol(-1) by gradually decreasing the excitation energy. The phosphorescence spectra of o-NBA in five different solvents are observed for the first time, providing direct experimental evidence on the existence of triplet manifold in the photoexcitation of o-NBA. Furthermore, the relative phosphorescence quantum yield is found to be solvent dependent. To get further insights into the dynamic process involved in the photochemistry of o-NBA, excited state calculations at the TD-B3LYP/6-311+G(d,p) level of theory with the PCM model are accomplished, which strongly support our experimental findings.
语种英语
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WOS记录号WOS:000280514800045
引用统计
被引频次:5[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/103327
专题中国科学院大连化学物理研究所
通讯作者Yin HM(尹鸿鳴)
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
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GB/T 7714
Cheng, Shibo,Song, Peng,Yang, Songqiu,et al. Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2010,12(31):9068-9075.
APA Cheng, Shibo,Song, Peng,Yang, Songqiu,Yin, Hongming,Han, Keli,&尹鸿鳴.(2010).Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,12(31),9068-9075.
MLA Cheng, Shibo,et al."Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12.31(2010):9068-9075.
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