ICCAS OpenIR
Reaction dynamics of electronically state-specific CH2 with NO
Su, HM; Kong, FN; Chen, BZ; Huang, MB; Liu, YJ
2000-08-01
Source PublicationJOURNAL OF CHEMICAL PHYSICS
ISSN0021-9606
Volume113Issue:5Pages:1885-1890
AbstractWith time-resolved Fourier transform infrared emission spectroscopy and DFT B3LYP quantum calculation, the reaction dynamics of CH2((X) over tilde B-3(1)) and CH2((a) over tilde (1)A(1)) with NO have been investigated. It is found that both (CH2)-C-3+NO and (CH2)-C-1+NO reactions follow the same reaction pathways and produce same products arising from the same elementary channels. The primary products of vibrationally excited CO(v), HCO(v(1)), HOCN(v(2)), OH(v), and NH2(v(3)) were detected for the first time and four reaction channels have thus been identified. Theoretically, a doublet potential energy surface is characterized. On the potential energy surfaces, both the (CH2)-C-3+NO and (CH2)-C-1+NO systems reach a crucial intermediate OCHNH via a CNO ring-closure and ring-opening process. From this intermediate, the four reaction pathways proceed: C-N bond rupture in OCHNH simply leads to NH+HCO; OCHNH rearranges either to H2NCO producing CO+NH2, or to HOCHN generating HOCN+H and HCN+OH. (C) 2000 American Institute of Physics. [S0021-9606(00)00416-5].
Indexed BySCI
Language英语
WOS IDWOS:000088269400029
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:17[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/76130
Collection中国科学院化学研究所
Corresponding AuthorKong, FN
Affiliation1.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China
2.Univ Sci & Technol China, Chinese Acad Sci, Grad Sch Beijing, Beijing 100039, Peoples R China
Recommended Citation
GB/T 7714
Su, HM,Kong, FN,Chen, BZ,et al. Reaction dynamics of electronically state-specific CH2 with NO[J]. JOURNAL OF CHEMICAL PHYSICS,2000,113(5):1885-1890.
APA Su, HM,Kong, FN,Chen, BZ,Huang, MB,&Liu, YJ.(2000).Reaction dynamics of electronically state-specific CH2 with NO.JOURNAL OF CHEMICAL PHYSICS,113(5),1885-1890.
MLA Su, HM,et al."Reaction dynamics of electronically state-specific CH2 with NO".JOURNAL OF CHEMICAL PHYSICS 113.5(2000):1885-1890.
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