Electron attachment to CH3COCl molecule and clusters

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F25%3A00637336" target="_blank" >RIV/61388955:_____/25:00637336 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60461373:22340/25:43931824

Výsledek na webu

<a href="https://hdl.handle.net/11104/0368239" target="_blank" >https://hdl.handle.net/11104/0368239</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/D5RA02679B" target="_blank" >10.1039/D5RA02679B</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Electron attachment to CH3COCl molecule and clusters

Popis výsledku v původním jazyce

We investigate the electron attachment of acetyl chloride CH3COCl (AC) molecules and clusters in a molecular beam experiment and by extensive theoretical calculations. The main product of dissociative electron attachment (DEA) to the AC molecule is Cl−, which leads to the main (AC)nCl− series in clusters. The weaker ion series identified in the cluster mass spectra correspond to (AC)nHCl2− and hydrogen abstraction fragments [(AC)n–H]−, in full agreement with calculated energetics. We compare the present results for AC with previously studied trifluoroacetyl chloride CF3COCl (TFAC) and trichloroacetic acid CCl3COOH (TCA) molecules and clusters. DEA of the three isolated molecules results in the main fragment Cl−. However, the electron attachment to their clusters produces distinctly different cluster ions. This demonstrates that the outcomes of reactions of electrons with molecules in an environment cannot easily be predicted from the DEA of isolated molecules, and the solvent plays a key role in the process.n

Název v anglickém jazyce

Electron attachment to CH3COCl molecule and clusters

Popis výsledku anglicky

We investigate the electron attachment of acetyl chloride CH3COCl (AC) molecules and clusters in a molecular beam experiment and by extensive theoretical calculations. The main product of dissociative electron attachment (DEA) to the AC molecule is Cl−, which leads to the main (AC)nCl− series in clusters. The weaker ion series identified in the cluster mass spectra correspond to (AC)nHCl2− and hydrogen abstraction fragments [(AC)n–H]−, in full agreement with calculated energetics. We compare the present results for AC with previously studied trifluoroacetyl chloride CF3COCl (TFAC) and trichloroacetic acid CCl3COOH (TCA) molecules and clusters. DEA of the three isolated molecules results in the main fragment Cl−. However, the electron attachment to their clusters produces distinctly different cluster ions. This demonstrates that the outcomes of reactions of electrons with molecules in an environment cannot easily be predicted from the DEA of isolated molecules, and the solvent plays a key role in the process.n

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

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

Název periodika

RSC Advances

ISSN

2046-2069

e-ISSN

2046-2069

Svazek periodika

15

Číslo periodika v rámci svazku

29

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

11

Strana od-do

23983-23993

Kód UT WoS článku

001525119400001

EID výsledku v databázi Scopus

2-s2.0-105010517527