The unusual stability of H-bonded complexes in solvent caused by greater solvation energy of complex compared to those of isolated fragments
Jazyk angličtina Země Spojené státy americké Médium print-electronic
Typ dokumentu časopisecké články, práce podpořená grantem
PubMed
35616117
DOI
10.1002/jcc.26928
Knihovny.cz E-zdroje
- Klíčová slova
- binding energies, charge transfer, dispersion-bonded complexes, halogen-bonded complexes, hydrogen-bonded complexes,
- MeSH
- fyzikální jevy MeSH
- halogeny * MeSH
- rozpouštědla MeSH
- termodynamika MeSH
- vodíková vazba MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- halogeny * MeSH
- rozpouštědla MeSH
Here, the effect of solvent on the stability of non-covalent complexes, was studied. These complexes were from previously published S22, S66, and X40 datasets, which include hydrogen-, halogen- and dispersion-bonded complexes. It was shown that the charge transfer in the complex determines whether the complex is stabilized or destabilized in solvent.
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Beyond Deshielding: NMR Evidence of Shielding in Hydridic and Protonic Hydrogen Bonds
