Number of the records: 1
The unusual stability of H-bonded complexes in solvent caused by greater solvation energy of complex compared to those of isolated fragments
- 1.0557911 - ÚOCHB 2024 RIV US eng J - Journal Article
Lo, Rabindranath - Mašínová, Anna - Lamanec, Maximilián - Nachtigallová, Dana - Hobza, Pavel
The unusual stability of H-bonded complexes in solvent caused by greater solvation energy of complex compared to those of isolated fragments.
Journal of Computational Chemistry. Roč. 44, č. 3 (2023), s. 329-333. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA ČR(CZ) GX19-27454X
Institutional support: RVO:61388963
Keywords : binding energies * charge transfer * dispersion-bonded complexes * halogen-bonded complexes * hydrogen-bonded complexes
OECD category: Inorganic and nuclear chemistry
Impact factor: 3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/jcc.26928
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.
Permanent Link: http://hdl.handle.net/11104/0331796
Number of the records: 1