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题名: OH produced from o-nitrophenol photolysis: A combined experimental and theoretical investigation
作者: Cheng, Shi-Bo1, 2;  Zhou, Can-Hua1, 2;  Yin, Hong-Ming1;  Sun, Ju-Long1;  Han, Ke-Li1
通讯作者: 尹鸿鸣
关键词: ab initio calculations ;  fluorescence ;  free radical reactions ;  organic compounds ;  photodissociation ;  potential energy surfaces ;  rotational states ;  spectrochemical analysis ;  vibrational states
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2009-06-21
DOI: 10.1063/1.3152635
卷: 130, 期:23, 页:234311-1-234311-8
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]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: Photodissociation dynamics of o-nitrophenol in the gas phase at different photolysis wavelengths (361-390 nm) is investigated, and the nascent OH radical is observed by the single-photon laser-induced fluorescence technique. At all the photolysis wavelengths, the OH radicals are formed in vibrationally cold state (upsilon"=0) and have similar rotational state distributions. The average rotational temperature for all the photolysis wavelengths is approximately 970 +/- 120 K, corresponding to a rotational energy of 1.9 +/- 0.2 kcal mol(-1). The spin orbit and Lambda-doublet states of the OH fragments formed in the dissociation are measured to have nonstatistical distributions. To get an insight into the dissociative mechanism leading to OH formation in the photolysis of o-nitrophenol, the potential energy surfaces of the OH-forming channels are mapped by ab initio theoretical calculations. According to both experimental and theoretical results, a possible mechanism for OH formation is proposed.
关键词[WOS]: BENZOIC-ACID MONOMER ;  PHOTODISSOCIATION DYNAMICS ;  193 NM ;  GAS-PHASE ;  HYDROGEN-BOND ;  2-NITROPHENOL ;  STATE ;  CHANNEL ;  PHOTOCHEMISTRY ;  NITROTOLUENE
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000267166200032
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/101701
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, Shi-Bo,Zhou, Can-Hua,Yin, Hong-Ming,et al. OH produced from o-nitrophenol photolysis: A combined experimental and theoretical investigation[J]. JOURNAL OF CHEMICAL PHYSICS,2009,130(23):234311-1-234311-8.
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