Computational and experimental insights into the synthesis and sensing of Ytterbium(III) with a phthalimide-functionalized cyclotriveratrylene ligand

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F23%3A00573828" target="_blank" >RIV/61388955:_____/23:00573828 - isvavai.cz</a>
Result on the web
<a href="https://hdl.handle.net/11104/0344180" target="_blank" >https://hdl.handle.net/11104/0344180</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s13738-023-02839-1" target="_blank" >10.1007/s13738-023-02839-1</a>

Result language
angličtina
Original language name
Computational and experimental insights into the synthesis and sensing of Ytterbium(III) with a phthalimide-functionalized cyclotriveratrylene ligand
Original language description
The release of lanthanides (Rare Earth Metals) into the environment due to increased industrial and mining activities has resulted in ecological consequences, underscoring the crucial importance of lanthanide detection. With the aim of developing an effective chemosensor for the detection of lanthanides, we functionalized CTC with ethyl-phthalimide due to the presence of electronegative oxygen and nitrogen binding sites. Optimized ligand showed the highest docking score with ytterbium and upon confirming with the experimental study we observed significant quenching upon interaction with ytterbium. The DFT study was introduced to gain deeper insight into binding mechanisms. Continuous PET path in CTCHN2EPh is averted towards Yb(III) through the LMCT mechanism. Binding constant, Job’s plot, and LOD calculations were carried out to establish its effectiveness as a selective chemosensor for Yb(III) detection. This work has promising implications for the future development of physical sensors, utilizing functionalized CTC with ethyl-phthalimide, as a potential platform for lanthanide detection. Graphical abstract: [Figure not available: see fulltext.].
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
10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)

Project
<a href="/en/project/GA21-23261S" target="_blank" >GA21-23261S: Interconnected azamacrocyclic complexes – new kind of molecular electronics</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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