Dissociative electron attachment to methyl isocyanide

0546716 - ÚFCH JH 2022 RIV DE eng J - Journal Article
Luxford, Thomas Frederick Murray - Nag, Pamir
Dissociative electron attachment to methyl isocyanide.
European Physical Journal D. Roč. 75, č. 10 (2021), č. článku 270. ISSN 1434-6060. E-ISSN 1434-6079
R&D Projects: GA ČR(CZ) GA20-11460S; GA MŠMT(CZ) LTAUSA19031
Institutional support: RVO:61388955
Keywords : energy-los spectroscopy * cross section * negative ions
OECD category: Physical chemistry
Impact factor: 1.611, year: 2021
Method of publishing: Limited access

We experimentally probed the dissociation of methyl isocyanide, CH3NC, via low-energy electron attachment. We have measured the absolute dissociative electron attachment (DEA) cross section for each of the produced ions as a function of incident electron energy. We were able to observe the CH2-, CH3-, CN-, CNC-, CHNC- and CH2NC- anionic fragments as DEA products. Our experimental results are consistent with a previous report, and in addition, we observed the CH2- anion for the first time. To support these experimental results, we also have performed density functional theory (DFT) calculation at the B3LYP/aug-cc-pVTZ level of theory to find out which reaction channel(s) lead to the formation of a given anion.
Permanent Link: http://hdl.handle.net/11104/0323119