Complex internal rearrangement processes triggered by electron transfer to acetic acid

Limão-Vieira, P.; Meneses, G.; Cunha, T.; Gil, A.; Calhorda, Maria José; García, Gustavo A.; Da Silva, F. Ferreira

http://hdl.handle.net/10362/92689

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Autores

Da Silva, F. Ferreira

Resumo(s)

We present negative ion formation from collisions of 100 eV neutral potassium atoms with acetic acid (CH3COOH) and its deuterated analogue molecules (CH3COOD, CD3COOH). From the negative ion time-of-flight (TOF) mass spectra, OH- is the main fragment detected accounting on average for more than 25% of the total anion yield. The complex internal rearrangement processes triggered by electron transfer to acetic acid have been evaluated with the help of theoretical calculations at the DFT levels explaining the fragmentation channel yielding OH-.

Descrição

IF-FCT IF/00380/2014. PLV the research grants PTDC/FIS ATO/1832/2012. SFRH/BD/52538/2014. Doctoral Trainning Programme (RaBBiT, PD-F, PD/00193/2012). Spanish Ministerio de Economía y Competitividad (Project No. FIS 2009-10245). Some of this work forms part of the EU/ESF COST Action CM1401, Our Astro-Chemical History.