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Dissociative electron attachment to amide bond containing molecules: N-ethylformamide and N-ethylacetamide

Authors :
Sylwia Ptasinska
Ian Carmichael
Lauren Eckermann
Dipayan Chakraborty
Source :
The Journal of chemical physics. 153(22)
Publication Year :
2020

Abstract

To advance our quest to understand the role of low energy electrons in biomolecular systems, we performed investigations on dissociative electron attachment (DEA) to gas-phase N-ethylformamide (NEF) and N-ethylacetamide (NEA) molecules. Both molecules contain the amide bond, which is the linkage between two consecutive amino acid residues in proteins. Thus, their electron-induced dissociation can imitate the resonant behavior of the DEA process in more complex biostructures. Our experimental results indicate that in these two molecules, the dissociation of the amide bond results in a double resonant structure with peaks at ∼5 eV and 9 eV. We also determined the energy position of resonant states for several negative ions, i.e., the other dissociation products from NEF and NEA. Our predictions of dissociation channels were supported by density functional theory calculations of the corresponding threshold energies. Our results and those previously reported for small amides and peptides imply the fundamental nature for breakage of the amide bond through the DEA process.

Details

ISSN :
10897690
Volume :
153
Issue :
22
Database :
OpenAIRE
Journal :
The Journal of chemical physics
Accession number :
edsair.doi.dedup.....e82fb7a1216a5e7b6e9c11204a93cdeb