Interaction of the Silver(I) Cation with [2.2]Paracyclophane: Experimental and Theoretical Study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F22%3A43924459" target="_blank" >RIV/60461373:22340/22:43924459 - isvavai.cz</a>
Result on the web
<a href="https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/slct.202203008" target="_blank" >https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/slct.202203008</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/slct.202203008" target="_blank" >10.1002/slct.202203008</a>
Alternative languages
Result language
angličtina
Original language name
Interaction of the Silver(I) Cation with [2.2]Paracyclophane: Experimental and Theoretical Study
Original language description
Electrospray ionization mass spectrometry was used to investigate the cation-π interaction of Ag+ cation with [2.2]paracyclophane. It was found that cationic Ag.([2.2]paracyclophane)+ and Ag.([2.2]paracyclophane)2+ complex species are formed in the gas phase. Further, applying quantum mechanical calculations in the frame of the density functional theory, using B3LYP functional with Def2TZVP basis set, the most probable structures of the proved Ag+ - [2.2]paracyclophane complexes were derived. In the Ag.([2.2]paracyclophane)+ complex, the cation Ag+ is bounded to three carbon atoms of one benzene ring of [2.2]paracyclophane ligand via cation-π interaction. Quite analogously is bonded also second [2.2]paracyclophane molecule in Ag.([2.2]paracyclophane)2+ complex. The interaction energy, E(int), of Ag.([2.2]paracyclophane)+ complex was calculated to be −220.79 kJ/mol, E(int) of Ag.([2.2]paracyclophane)2+ complex is −362.67 kJ/mol. It is consistent with the formation of the considered Ag+ - [2.2]paracyclophane complex species. © 2022 Wiley-VCH GmbH.
Czech name
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Czech description
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Classification
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
Result continuities
Project
<a href="/en/project/LM2018131" target="_blank" >LM2018131: Czech National Infrastructure for Biological Data</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ChemistrySelect
ISSN
2365-6549
e-ISSN
2365-6549
Volume of the periodical
7
Issue of the periodical within the volume
38
Country of publishing house
DE - GERMANY
Number of pages
10
Pages from-to
"e202203008"
UT code for WoS article
000865571200001
EID of the result in the Scopus database
2-s2.0-85140094498