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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)
KeywordAb Initio Calculations Fluorescence Free Radical Reactions Organic Compounds Photodissociation Potential Energy Surfaces Rotational States Spectrochemical Analysis Vibrational States
Source PublicationJOURNAL OF CHEMICAL PHYSICS
2009-06-21
DOI10.1063/1.3152635
Volume130Issue:23Pages:234311-1-234311-8
Indexed BySCI
SubtypeArticle
Department11
Funding Project1101
Contribution Rank1;1
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS Research AreaPhysics
WOS KeywordBENZOIC-ACID MONOMER ; PHOTODISSOCIATION DYNAMICS ; 193 NM ; GAS-PHASE ; HYDROGEN-BOND ; 2-NITROPHENOL ; STATE ; CHANNEL ; PHOTOCHEMISTRY ; NITROTOLUENE
AbstractPhotodissociation 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.
Language英语
URL查看原文
WOS IDWOS:000267166200032
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Cited Times:13[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/101701
Collection中国科学院大连化学物理研究所
Corresponding AuthorYin HM(尹鸿鸣)
Affiliation1.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
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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