Electron attachment to microhydrated 4-nitro-And 4-bromo-Thiophenol

Result code in 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>
Alternative codes found
RIV/61388955:_____/21:00545409 RIV/68407700:21340/21:00365777
Result on the web
<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>

Result language
angličtina
Original language name
Electron attachment to microhydrated 4-nitro-And 4-bromo-Thiophenol
Original language description
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.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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