Electron attachment to microhydrated 4-nitro-And 4-bromo-Thiophenol
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F21%3A43922493" target="_blank" >RIV/60461373:22340/21:43922493 - isvavai.cz</a>
Nalezeny alternativní kódy
RIV/61388955:_____/21:00545409 RIV/68407700:21340/21:00365777
Výsledek na webu
<a href="https://pubs.rsc.org/en/content/articlelanding/2021/cp/d1cp02019f" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2021/cp/d1cp02019f</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/d1cp02019f" target="_blank" >10.1039/d1cp02019f</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Electron attachment to microhydrated 4-nitro-And 4-bromo-Thiophenol
Popis výsledku v původním jazyce
We investigate the effect of microhydration on electron attachment to thiophenols with halogen (Br) and nitro (NO2) functional groups in the para position. We focus on the formation of anions upon the attachment of low-energy electrons with energies below 8 eV to heterogeneous clusters of the thiophenols with water. For nitro-Thiophenol (NTP), the primary reaction channel observed is the associative electron attachment, irrespective of the microhydration. On the other hand, bromothiophenol (BTP) fragments significantly upon the electron attachment, producing Br- and (BTP-H)- anions. Microhydration suppresses fragmentation of both molecules, however in bromothiophenol, the Br- channel remains intense and Br(H2O)n- hydrated fragment clusters are observed. The results are supported by the reaction energetics obtained from ab initio calculations. Different dissociation dynamics of NTP and BTP can be related to different products of their plasmon induced reactions on Au nanoparticles. Computational modeling of the simplified BTP(H2O) system indicates that the electron attachment products reflect the structure of neutral precursor clusters-The anion dissociation dynamics is controlled by the hydration site. © the Owner Societies.
Název v anglickém jazyce
Electron attachment to microhydrated 4-nitro-And 4-bromo-Thiophenol
Popis výsledku anglicky
We investigate the effect of microhydration on electron attachment to thiophenols with halogen (Br) and nitro (NO2) functional groups in the para position. We focus on the formation of anions upon the attachment of low-energy electrons with energies below 8 eV to heterogeneous clusters of the thiophenols with water. For nitro-Thiophenol (NTP), the primary reaction channel observed is the associative electron attachment, irrespective of the microhydration. On the other hand, bromothiophenol (BTP) fragments significantly upon the electron attachment, producing Br- and (BTP-H)- anions. Microhydration suppresses fragmentation of both molecules, however in bromothiophenol, the Br- channel remains intense and Br(H2O)n- hydrated fragment clusters are observed. The results are supported by the reaction energetics obtained from ab initio calculations. Different dissociation dynamics of NTP and BTP can be related to different products of their plasmon induced reactions on Au nanoparticles. Computational modeling of the simplified BTP(H2O) system indicates that the electron attachment products reflect the structure of neutral precursor clusters-The anion dissociation dynamics is controlled by the hydration site. © the Owner Societies.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10403 - Physical chemistry
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
2021
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
—
Svazek periodika
23
Číslo periodika v rámci svazku
33
Stát vydavatele periodika
GB - Spojené království Velké Británie a Severního Irska
Počet stran výsledku
9
Strana od-do
18173-18181
Kód UT WoS článku
000686553200001
EID výsledku v databázi Scopus
2-s2.0-85114028118