The stability of covalent dative bond significantly increases with increasing solvent polarity

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F22%3A00556979" target="_blank" >RIV/61388963:_____/22:00556979 - isvavai.cz</a>
Alternative codes found
RIV/61989100:27740/22:10250630 RIV/61989592:15640/22:73618758
Result on the web
<a href="https://doi.org/10.1038/s41467-022-29806-3" target="_blank" >https://doi.org/10.1038/s41467-022-29806-3</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s41467-022-29806-3" target="_blank" >10.1038/s41467-022-29806-3</a>

Result language
angličtina
Original language name
The stability of covalent dative bond significantly increases with increasing solvent polarity
Original language description
It is generally expected that a solvent has only marginal effect on the stability of a covalent bond. In this work, we present a combined computational and experimental study showing a surprising stabilization of the covalent/dative bond in Me3NBH3 complex with increasing solvent polarity. The results show that for a given complex, its stability correlates with the strength of the bond. Notably, the trends in calculated changes of binding (free) energies, observed with increasing solvent polarity, match the differences in the solvation energies (ΔEsolv) of the complex and isolated fragments. Furthermore, the studies performed on the set of the dative complexes, with different atoms involved in the bond, show a linear correlation between the changes of binding free energies and ΔEsolv. The observed data indicate that the ionic part of the combined ionic-covalent character of the bond is responsible for the stabilizing effects of solvents.
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
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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