Abstract
AbstractIt 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.
Funder
Grantová Agentura České Republiky
Publisher
Springer Science and Business Media LLC
Subject
General Physics and Astronomy,General Biochemistry, Genetics and Molecular Biology,General Chemistry,Multidisciplinary
Reference45 articles.
1. Hwang, K.-J. et al. The influence of dielectric constant on ionic and non-polar interactions. Bull. Korean Chem. Soc. 24, 55–59 (2003).
2. Mc Keen, L. W. Film Properties of Plastics and Elastomers, Introduction to Properties of Plastic and Elastomer Films 3rd edn (Elsevier, 2012).
3. Lewis, G. N. Valence and the Structure of Atoms and Molecules (The Chemical Catalog Company, 1923).
4. Pauling, L. The Nature of the Chemical Bond and the Structure of Molecules and Crystals 3rd edn (Cornell University, 1938).
5. Haaland, A. Covalent versus dative bonds to main group metals, a useful distinction. Angew. Chem. Int. Ed. 28, 992–1007 (1989).
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