Complex internal rearrangement processes triggered by electron transfer to acetic acid

Authors

Paulo Limao-Vieira, The Open University, Universidade Nova de Lisboa
G Meneses, Universidade Nova de Lisboa
T Cunha, Universidade Nova de Lisboa
A. Gil, Universidade de Lisboa
M Calhorda, Universidade de Lisboa
Gustavo Garcia, University of Wollongong
F. Ferreira Da Silva, Universidade Nova de Lisboa

RIS ID

104623

Publication Details

Limao-Vieira, P., Meneses, G., Cunha, T., Gil, A., Calhorda, M. J., Garcia, G. & Da Silva, F. (2015). Complex internal rearrangement processes triggered by electron transfer to acetic acid. Journal of physics: Conference series, 635 012002-1 - 012002-8.

Abstract

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-.