Reaction dynamics of electronically state-specific CH2 with NO
Su, HM; Kong, FN; Chen, BZ; Huang, MB; Liu, YJ
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
WOS IDWOS:000088269400029
Citation statistics
Cited Times:17[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
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.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Su, HM]'s Articles
[Kong, FN]'s Articles
[Chen, BZ]'s Articles
Baidu academic
Similar articles in Baidu academic
[Su, HM]'s Articles
[Kong, FN]'s Articles
[Chen, BZ]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Su, HM]'s Articles
[Kong, FN]'s Articles
[Chen, BZ]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.