Complex of antamanide with Cl- , Br- and I- anions

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F24%3A43928861" target="_blank" >RIV/60461373:22340/24:43928861 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.molstruc.2024.138257" target="_blank" >https://doi.org/10.1016/j.molstruc.2024.138257</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molstruc.2024.138257" target="_blank" >10.1016/j.molstruc.2024.138257</a>

Result language
angličtina
Original language name
Complex of antamanide with Cl- , Br- and I- anions
Original language description
Anionic complexes of antamanide with chloride, bromide and iodide anions have been proven by the electrospray ionization mass spectrometry (ESI-MS) method. Further, the most probable structures of these complexes were derived through the application of quantum mechanical DFT calculations. The chloride and bromide anions are embedded in the molecule of antamanide while the iodide one lies on the apex of the pyramid, the base of which is formed by the three hydrogen atoms of the antamanide ligand. The interaction energies of the antamanide halide anion complexes decrease in the order Cl- > Br- > I-.
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
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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