✦ LIBER ✦
Formation of weak hydrogen-bonded complexes as predicted by experimental atomic charges
✍ Scribed by M. Gussoni; C. Castiglioni; G. Zerbi
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 477 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
A very simple electrostatic model for the binding energy in weak intermolecular interaction is proposed_ The model requires the knowledge of atomic equilibrium charges which can be derived from molecular dipole moments and infrared in-
tensities. The binding energy computed with this model for hydrogen-bonded complexes of known geometry agrees very
well with the observed one. A further simplification of the model may indicate which of the two molecules forming the complex acts as proton donor when the geometry of the complex is not known.