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题名: Fluorescence and solvent-dependent phosphorescence studies of o-nitrobenzaldehyde: A combined experimental and theoretical investigation
作者: Cheng, Shibo1, 2;  Song, Peng1, 2;  Yang, Songqiu1, 2;  Yin, Hongming1;  Han, Keli1
通讯作者: 尹鸿鳴
刊名: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
发表日期: 2010
DOI: 10.1039/c002270e
卷: 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
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.
关键词[WOS]: POLARIZABLE CONTINUUM MODEL ;  AROMATIC NITRO-COMPOUNDS ;  GAS-PHASE ;  ABSORPTION-SPECTROSCOPY ;  TRIPLET-STATE ;  MOLECULES ;  PHOTOCHEMISTRY ;  PHOTOLYSIS ;  2-NITROBENZALDEHYDE ;  1-NITRONAPHTHALENE
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000280514800045
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/103327
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.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

Recommended Citation:
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.
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