Institute of Theoretical Physics · Faculty of Mathematics and Physics, Charles University
Phys. Rev. Lett. 121, 143402 (2018)
In a combined experimental and theoretical study, we probe the dissociative electron attachment in
isocyanic acid HNCO. The experimental absolute cross section for the NCO− fragment shows a sharp onset
and fine structures near the threshold. The autoionizing state responsible for the dissociative attachment
is found in both the R-matrix calculation and using analytic continuation in the coupling constant. The
involved A0 resonance has a mixed π=σ character along the dissociating bond and thus combines the
effects of nonzero electron angular momentum and dipole-supported states. This leads to unusual behavior
of its width at various geometries. Because the potential energy gradient of the autoionizing state points
essentially in the direction of the N─H bond, nuclear dynamics can be described by a one-dimensional
nonlocal model. The results agree with the experiment both quantitatively and qualitatively. The present
system may be a prototype for interpretation of the dissociative electron attachment process in a number of
other polyatomic systems.
@article{UTF671,
author = {Zawadzki, M. and Čížek, M. and Houfek,K. and Čurík, R. and Ferus, M. and Civiš, S. and Kočišek, J. and Fedor, J.},
title = {{Resonances and Dissociative Electron Attachment in HNCO}},
journal = {Phys. Rev. Lett.},
volume = {121},
pages = {143402},
year = {2018},
doi = {10.1103/PhysRevLett.121.143402},
}