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The unusual stability of H‐bonded complexes in solvent caused by greater solvation energy of complex compared to those of isolated fragments

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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… Click to show full abstract

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.

Keywords: solvent; bonded complexes; unusual stability; stability bonded; complexes solvent

Journal Title: Journal of Computational Chemistry
Year Published: 2022

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