Effects of pi*- sigma* coupling on dissociative-electron-attachment angular distributions in vinyl, allyl, and benzyl chloride and in chlorobenzene

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00543562" target="_blank" >RIV/61388955:_____/21:00543562 - isvavai.cz</a>

Výsledek na webu

<a href="http://hdl.handle.net/11104/0320751" target="_blank" >http://hdl.handle.net/11104/0320751</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevA.103.032830" target="_blank" >10.1103/PhysRevA.103.032830</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Effects of pi*- sigma* coupling on dissociative-electron-attachment angular distributions in vinyl, allyl, and benzyl chloride and in chlorobenzene

Popis výsledku v původním jazyce

We report on a velocity map imaging study of Cl- anions resulting from the dissociative electron attachment to four unsaturated chlorohydrocarbons. In all four molecules, this process is mediated by the formation of the lowest shape resonance. The choice of the molecules was motivated by the different character of this resonance. In the planar compounds chlorobenzene and vinyl chloride, it is a pi* resonance, which is not dissociative along the C-Cl bond without distortion of the planar geometry. In the nonplanar compounds benzyl chloride and allyl chloride, the shape resonance has a mixed pi*- sigma* character and is directly dissociative without the need for any additional distortion. Our motivation was to find out whether the dissociation-allowing nuclear motion has a common imprint in the resulting fragment angular distributions. In spite of the expected similarities between the two classes of compounds, the resulting images are quite different for all four molecules. We interpret the results, especially the imprints of the bending dynamics, with the aid of a single-electronic-state model in the axial recoil approximation.

Název v anglickém jazyce

Effects of pi*- sigma* coupling on dissociative-electron-attachment angular distributions in vinyl, allyl, and benzyl chloride and in chlorobenzene

Popis výsledku anglicky

We report on a velocity map imaging study of Cl- anions resulting from the dissociative electron attachment to four unsaturated chlorohydrocarbons. In all four molecules, this process is mediated by the formation of the lowest shape resonance. The choice of the molecules was motivated by the different character of this resonance. In the planar compounds chlorobenzene and vinyl chloride, it is a pi* resonance, which is not dissociative along the C-Cl bond without distortion of the planar geometry. In the nonplanar compounds benzyl chloride and allyl chloride, the shape resonance has a mixed pi*- sigma* character and is directly dissociative without the need for any additional distortion. Our motivation was to find out whether the dissociation-allowing nuclear motion has a common imprint in the resulting fragment angular distributions. In spite of the expected similarities between the two classes of compounds, the resulting images are quite different for all four molecules. We interpret the results, especially the imprints of the bending dynamics, with the aid of a single-electronic-state model in the axial recoil approximation.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA20-11460S" target="_blank" >GA20-11460S: Dynamika pohybu jader indukovaného elektrony v studených molekulach</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Review A

ISSN

2469-9926

e-ISSN

2469-9934

Svazek periodika

103

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

032830

Kód UT WoS článku

000646067200010

EID výsledku v databázi Scopus

2-s2.0-85103619636