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Abstract
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 A' 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.
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Authors (8)
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Martin Čížek dr
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Karel Houfek
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Roman Čurík dr
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Martin Ferus dr
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Svatopluk Civiš Prof.
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Jaroslav Kočišek dr
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Juraj Fedor dr
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Details
- Category:
- Articles
- Type:
- artykuł w czasopiśmie wyróżnionym w JCR
- Published in:
-
PHYSICAL REVIEW LETTERS
no. 121,
pages 1 - 6,
ISSN: 0031-9007 - Language:
- English
- Publication year:
- 2018
- Bibliographic description:
- Zawadzki M., Čížek M., Houfek K., Čurík R., Ferus M., Civiš S., Kočišek J., Fedor J.: Resonances and Dissociative Electron Attachment in HNCO// PHYSICAL REVIEW LETTERS. -Vol. 121, nr. 143402 (2018), s.1-6
- DOI:
- Digital Object Identifier (open in new tab) 10.1103/physrevlett.121.143402
- Verified by:
- Gdańsk University of Technology
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