SCF LCGO MO studies on the fluoronium ion FH2+ and its hydrogen bonding interaction with hydrogen fluoride FH

  title={SCF LCGO MO studies on the fluoronium ion FH2+ and its hydrogen bonding interaction with hydrogen fluoride FH},
  author={Geerd H. F. Diercksen and Wolfgang von Niessen and Wolfgang P. Kraemer},
  journal={Theoretica chimica acta},
The stability and geometrical structure of the fluoronium ion is investigated using the onedeterminant SCF LCAO MO method. The equilibrium geometry is characterized by a bond length of d(FH)=0.95 Å and a bond angle of 114.75°. The proton binding energy is determined to be 120.1 kcal/mole. The molecules FH32+and FH3 are found to be unstable. A binding energy of 30.7 kcal/mole is obtained for the hydrogen bond formation between the systems FH2+and FH. In the minimum energy structure the central… 
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