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Issue 5, 1981
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Strong hydrogen bonding in the polyfluorides: ab initio calculations and a new method of preparing potassium hydrogendifluoride

Abstract

Ab initio LCAO-MO-SCF calculations have been performed on the polyfluoride ions HnFn+1, n= 1–4, and the hydrogen fluoride polymers (HF)m, m= 1–4, to determine their molecular configurations and the hydrogen-bond energies of the polyfluorides. All the polyfluorides are strongly hydrogen bonded and have structures in which a central fluorine acts as the acceptor to one to four HF molecules. The hydrogen fluoride polymers prefer open-chain arrangements. A safe and simple method of preparing K[HF2] in high yield is given.

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Article type: Paper
DOI: 10.1039/DT9810001219
Citation: J. Chem. Soc., Dalton Trans., 1981,0, 1219-1222
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    Strong hydrogen bonding in the polyfluorides: ab initio calculations and a new method of preparing potassium hydrogendifluoride

    J. H. Clark, J. Emsley, D. J. Jones and R. E. Overill, J. Chem. Soc., Dalton Trans., 1981, 0, 1219
    DOI: 10.1039/DT9810001219

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