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OH produced from o-nitrophenol photolysis: A combined experimental and theoretical investigation
Cheng, Shi-Bo1,2; Zhou, Can-Hua1,2; Yin, Hong-Ming1; Sun, Ju-Long1; Han, Ke-Li1; Yin HM(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
2009-06-21
DOI10.1063/1.3152635
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
关键词[WOS]BENZOIC-ACID MONOMER ; PHOTODISSOCIATION DYNAMICS ; 193 NM ; GAS-PHASE ; HYDROGEN-BOND ; 2-NITROPHENOL ; STATE ; CHANNEL ; PHOTOCHEMISTRY ; NITROTOLUENE
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.
语种英语
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WOS记录号WOS:000267166200032
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/101701
专题中国科学院大连化学物理研究所
通讯作者Yin HM(尹鸿鸣)
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, 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.
APA Cheng, Shi-Bo,Zhou, Can-Hua,Yin, Hong-Ming,Sun, Ju-Long,Han, Ke-Li,&尹鸿鸣.(2009).OH produced from o-nitrophenol photolysis: A combined experimental and theoretical investigation.JOURNAL OF CHEMICAL PHYSICS,130(23),234311-1-234311-8.
MLA Cheng, Shi-Bo,et al."OH produced from o-nitrophenol photolysis: A combined experimental and theoretical investigation".JOURNAL OF CHEMICAL PHYSICS 130.23(2009):234311-1-234311-8.
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