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Theoretica chimica acta

, Volume 93, Issue 2, pp 61–65 | Cite as

On hydrogen-bonded complexes: the case of (HF)2

  • Martin Quack
  • Martin A. Suhm
Article

Abstract

The hydrogen fluoride dimer (HF)2 is the most completely characterized hydrogen bonded species incorporating a donor molecule and an acceptor molecule. We provide a summary of experimental and theoretical information pertinent to the fundamental and harmonic vibrational frequencies, equilibrium geometry and dissociation energiesDe andD0 as well as a brief critical discussion including some new results on the potential function and current “best estimates” of experimental quantities.

Key words

Anharmonicity Dynamics Density functionals Infrared Structure 

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Copyright information

© Springer-Verlag 1996

Authors and Affiliations

  • Martin Quack
    • 1
  • Martin A. Suhm
    • 1
  1. 1.Laboratorium für Physikalische Chemie der ETH Zürich (Zentrum)ZürichSwitzerland

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