Trifluoroacetyl peroxynitrate (FPAN): A HeI PES–PIMS study
✍ Scribed by Chun-Ping Ma; Wei-Gang Wang; Xiao-Qing Zeng; Mao-Fa Ge
- Book ID
- 103837997
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 302 KB
- Volume
- 876
- Category
- Article
- ISSN
- 0022-2860
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✦ Synopsis
FPAN 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 CF 3 CO and NO 2 being a gauge orientation, the cation adopts a planar structure. In PIMS spectrum, the dominant fragment is NO 2 þ and demonstrates that the O-NO 2 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.