Complex internal rearrangement processes triggered by electron transfer to acetic acid

29th International Conference on Photonic, Electronic, and Atomic Collisions

Limão-Vieira, P.^1,2 ; Meneses, G.^1 ; Cunha, T.^1 ; Gil, A.^3 ; Calhorda, M.J.^3 ; García, G.^4,5 ; Da Silva, F Ferreira^1

Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica

2829-516, Portugal^1

Department of Physical Sciences, Open University, Walton Hall, MK7 6AA, United Kingdom^2

Centro de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Lisboa

1749-016, Portugal^3

Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 113-bis, Madrid

28006, Spain^4

Centre of Medical Radiation Physics, University of Wollongong, Wollongong

NSW

2522, Australia^5

关键词: Deuterated analogue;    Electron transfer;    Fragmentation channels;    Ion formation;    Potassium atoms;    Rearrangement process;    Theoretical calculations;    Time of flight;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/1/012002/pdf
DOI  :  10.1088/1742-6596/635/1/012002

来源: IOP

【 摘 要 】

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-.