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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

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • 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