Issue 1, 1989

Ab initio calculations of the structure and harmonic frequencies of the fluoro(hydrocyano)krypton(II) cation [HC[triple bond, length half m-dash]N–Kr–F]+

Abstract

The structure and harmonic frequencies of the [HC[triple bond, length half m-dash]N–Kr–F]+ cation have been calculated with the inclusion of correlation effects; excellent agreement with the limited experimental vibrational data is found and the calculations clearly suggest a stronger Kr–F bond compared to that in KrF2.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1989, 30-31

Ab initio calculations of the structure and harmonic frequencies of the fluoro(hydrocyano)krypton(II) cation [HC[triple bond, length half m-dash]N–Kr–F]+

I. H. Hillier and M. A. Vincent, J. Chem. Soc., Chem. Commun., 1989, 30 DOI: 10.1039/C39890000030

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