Hydrogen bonding between hydrides of the upper-right part of the periodic table
| Autor: | Tomaz Urbic, Matjaž Simončič |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Work (thermodynamics)
010304 chemical physics Chemistry Hydrogen bond General Physics and Astronomy Charge (physics) 010402 general chemistry Electrostatics 01 natural sciences Article 0104 chemical sciences Electronegativity Macroscopic scale Chemical physics 0103 physical sciences Physics::Atomic and Molecular Clusters Molecule Physics::Atomic Physics Physical and Theoretical Chemistry |
| Zdroj: | Chemical physics. 507 |
| ISSN: | 0301-0104 |
| Popis: | One of the most important electrostatic interactions between molecules is most definitely the hydrogen bond. Understanding the basis of this interaction may offer us the insight needed to understand its effect on the macroscopic scale. Hydrogen bonding is for example the reason for anomalous properties in compounds like water and naturally life as we know it. The strength of the bond depends on numerous factors, among them the electronegativity of participating atoms. In this work we calculated the strength of hydrogen bonds between hydrides of the upper-right part of the periodic table (C, N, O, F, P, S, Cl, As, Se, Br) using quantum-chemical methods. The aim was to determine what influences the strength of strong and weak hydrogen bonds in simple hydrides. Various relationships were checked. A relation between the strength of the bond and the electronegativity of the participating atoms was found. We also observed a correlation between the strength of hydrogen bonds and the inter-atomic distances, along with the dependence on the charge transfer on the atom of the donor. We also report characteristic geometries of different dimers. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect