ICCAS OpenIR
Trifluoroacetyl peroxynitrate (FPAN): A HeI PES-PIMS study
Ma, Chun-Ping1,2; Wang, Wei-Gang1,2; Zeng, Xiao-Qing1,2; Ge, Mao-Fa1
2008-03-30
Source PublicationJOURNAL OF MOLECULAR STRUCTURE
ISSN0022-2860
Volume876Issue:1-3Pages:9-14
AbstractFPAN was characterized by photoelectron spectroscopy (PES) and photoionization mass spectrometry (PIMS), the geometry and electronic structures were investigated by combining theoretical calculations. The joint spectroscopic and theoretical studies indicate that FPAN adopts a syn conformer, with the CF3CO and NO2 being a gauge orientation, the cation adopts a planar structure. In PIMS spectrum, the dominant fragment is NO2+ and demonstrates that the O - NO2 bond of FPAN is weak. The outermost electrons of FPAN predominantly localize on the oxygen lone pair of C=O, and the experimental first vertical ionization potential of FPAN is 12.36 eV. (c) 2007 Elsevier B.V. All rights reserved.
KeywordFpan Pes - Pims Electronic Structure
DOI10.1016/j.molstruc.2007.05.042
Indexed BySCI
Language英语
WOS IDWOS:000255261600002
PublisherELSEVIER SCIENCE BV
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Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/64816
Collection中国科学院化学研究所
Corresponding AuthorGe, Mao-Fa
Affiliation1.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci BNLMS, Beijing 100080, Peoples R China
2.Chinese Acad Sci, Grad Sch, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Ma, Chun-Ping,Wang, Wei-Gang,Zeng, Xiao-Qing,et al. Trifluoroacetyl peroxynitrate (FPAN): A HeI PES-PIMS study[J]. JOURNAL OF MOLECULAR STRUCTURE,2008,876(1-3):9-14.
APA Ma, Chun-Ping,Wang, Wei-Gang,Zeng, Xiao-Qing,&Ge, Mao-Fa.(2008).Trifluoroacetyl peroxynitrate (FPAN): A HeI PES-PIMS study.JOURNAL OF MOLECULAR STRUCTURE,876(1-3),9-14.
MLA Ma, Chun-Ping,et al."Trifluoroacetyl peroxynitrate (FPAN): A HeI PES-PIMS study".JOURNAL OF MOLECULAR STRUCTURE 876.1-3(2008):9-14.
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