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


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.


Hydrogen Physical Chemistry Inorganic Chemistry Organic Chemistry Hydrogen Atom 
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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.


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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