General electronegativity profile of a hydrogen molecule
| Autor: | V. K. Kochnev, N. T. Kuznetsov |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
Characteristic function (probability theory)
Thermodynamic equilibrium Materials Science (miscellaneous) Potential energy Inorganic Chemistry Electronegativity State function chemistry.chemical_compound chemistry Electric field Molecule Physical and Theoretical Chemistry Atomic physics Hydrogen anion |
| Zdroj: | Russian Journal of Inorganic Chemistry. 60:875-878 |
| ISSN: | 1531-8613 0036-0236 |
| DOI: | 10.1134/s0036023615070074 |
| Popis: | The general method for studying the equilibrium state of a system through finding the extremum of the appropriate characteristic function can be applied to an isolated molecule, since its state is determined by averaging the stochastic electron motion in the nuclear electric field. Selection of electron energy as the function of state of a hydrogen molecule H2 depending on interatomic distance R(H-H) yields the classical attraction-type potential curve. The use of electronic chemical potential of a hydrogen molecule (μ(H2)) probably also enables one to determine the equilibrium state as there is an advantage in this case that the electronic chemical potential value μ not only can be calculated but also can be experimentally assessed. It was demonstrated that the numerically determined μ(H2) versus interatomic distance dependence is also of the attraction type and has an extremum at the equilibrium R(H-H) value of ∼ 0.74–0.75 A for a certain calculation procedure. This dependence for hydrogen anion H 2 − does not have a well-defined extremum, while the potential energy curve for hydrogen anion H 2 − is of the repulsion type. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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