Trifluoroacetyl peroxynitrate (FPAN): A HeI PES-PIMS study

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 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 CO, and the experimental first vertical ionization potential of FPAN is 12.36 eV.