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Theoretica chimica acta

, Volume 21, Issue 3, pp 280–286 | Cite as

A simple model of short-range interactions II. The orientation dependence of the interaction between non-bonded hydrogen atoms

  • V. Magnasco
  • G. F. Musso
Article

Abstract

The simple model of short-range interactions described in the preceding paper has been applied to the study of the orientation dependence of the interaction between the non-bonded hydrogen atoms of two CH fragments. Calculation shows that for the same interatomic distance the interaction energy between non-bonded hydrogen atoms is strongly dependent on the relative orientation of the two bonds even for large values ofR.

Keywords

Hydrogen Physical Chemistry Inorganic Chemistry Organic Chemistry Hydrogen Atom 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Zusammenfasung

Das einfache Modell für Wechselwirkungen kurzer Reichweite, das in der vorhergehenden Arbeit beschrieben wurde, wird auf die Orientierungsabhängigkeit der Wechselwirkung der untereinander nicht gebundenen Wasserstoffatome zweier CH-Fragmente angewendet. Die Berechnungen zeigen, daß beigleichbleibendem Atomabstand die Wechselwirkungsenergie zwischen untereinander nicht gebundenen Wasserstoffatomen stark von der relativen Orientierung der beiden Bindungen abhängt; dies gilt selbst noch für große Werte vonR.

Resumé

Le simple modèle des interactions à courtes distances décrit dans le précedent travail a été applié à l'étude de la dépendence de l'orientation entre les atomes d'hydrogène non-liés de deux fragments CH. Le calcule montre que pour lamême distance intératomique, l'énergie d'interaction entre les atomes d'hydrogène non-liés est fortement dépendente de l'orientation relative des deux liaisons même pour des grandes valeurs deR.

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Copyright information

© Springer-Verlag 1971

Authors and Affiliations

  • V. Magnasco
    • 1
  • G. F. Musso
    • 1
  1. 1.Istituto di ChimicaIndustriale University di GenovaGenovaItaly

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