Li, Zhou published the artcileDipole-Supported Electronic Resonances Mediate Electron-Induced Amide Bond Cleavage, COA of Formula: C2H5NO, the main research area is formamide dipole moment excited singlet state dissociative electron capture.
Dissociative electron attachment (DEA) plays a key role in radiation damage of biomols. under high-energy radiation conditions. The initial step in DEA is often rationalized in terms of resonant electron capture into one of the metastable valence states of a mol. followed by its fragmentation. Our combined theor. and exptl. investigations indicate that the manifold of states responsible for electron capture in the DEA process can be dominated by core-excited (shake-up) dipole-supported resonances. Specifically, we present the results of exptl. and computational studies of the gas-phase DEA to three prototypical peptide mols., formamide, N-methylformamide , and N,N-dimethyl-formamide. In contrast to the case of electron capture by pos. charged peptides in which amide bond rupture is rare compared to N-Cα bond cleavage, fragmentation of the amide bond was observed in each of these three mols. The ion yield curves for ions resulting from this amide bond cleavage, such as NH2- for formamide, NHCH3- for NMF, and N(CH3)2- for DMF, showed a double-peak structure in the region between 5 and 8 eV. The peaks are assigned to Feshbach resonances including core-excited dipole-supported resonances populated upon electron attachment based on high-level electronic structure calculations Moreover, the lower energy peak is attributed to formation of the core-excited resonance that correlates with the triplet state of the neutral mol. The latter process highlights the role of optically spin-forbidden transitions promoted by electron impact in the DEA process.
Physical Review Letters published new progress about Binding energy (vertical electron). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, COA of Formula: C2H5NO.
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics