NMR Spectrum of a Nearly Linear Five-Spin System: Hydrogen Bonding in KH2F3

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Abstract
The nuclear magnetic resonance spectra of a rigid A—B—A—B—A system of spin‐½ nuclei are calculated taking into account first‐ and second‐nearest‐neighboring dipole—dipole interactions. Both the cases of a linear and nonlinear nuclear arrangement are treated and are shown to yield a distinct fine structure. The results are applied to a study of the H2F3− ion in KH2F3 and NaH2F3, and comparisons with experiment are made for both proton and fluorine resonances. Though the F···F distances are very short and the hydrogen bonds in this crystal approach in stability those in the bifluoride ion, the obtained data show that the hydrogen atoms are unsymmetrically located.