Resonances and Dissociative Electron Attachment in HNCO
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F18%3A10385558" target="_blank" >RIV/00216208:11320/18:10385558 - isvavai.cz</a>
Nalezeny alternativní kódy
RIV/61388955:_____/18:00494626
Výsledek na webu
<a href="https://doi.org/10.1103/PhysRevLett.121.143402" target="_blank" >https://doi.org/10.1103/PhysRevLett.121.143402</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevLett.121.143402" target="_blank" >10.1103/PhysRevLett.121.143402</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Resonances and Dissociative Electron Attachment in HNCO
Popis výsledku v původním jazyce
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 pi*/sigma* 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.
Název v anglickém jazyce
Resonances and Dissociative Electron Attachment in HNCO
Popis výsledku anglicky
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 pi*/sigma* 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.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Návaznosti výsledku
Projekt
Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.
Návaznosti
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Ostatní
Rok uplatnění
2018
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Physical Review Letters
ISSN
0031-9007
e-ISSN
—
Svazek periodika
121
Číslo periodika v rámci svazku
14
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
6
Strana od-do
—
Kód UT WoS článku
000446391700005
EID výsledku v databázi Scopus
2-s2.0-85054548012