How the hydrogen bond in NH$_4$F is revealed with Compton scattering

Details How the hydrogen bond in NH$_4$F is revealed with Compton scattering How the hydrogen bond in NH$_4$F is revealed with Compton scattering

2009-03-21

arxiv.org/abs/0903.3632v1

Phys. Rev. B 79, 155115 (2009)

Physics

Condensed Matter

Materials Science

4 pages, 5 figures, accepted for publication as a Regular Article in Physical Review B

Scientific paper

10.1103/PhysRevB.79.155115

In order to probe electron wave functions involved in the bonding of NH$_4$F, we have performed Compton scattering experiments in an oriented single crystal and in a powder. Ab initio calculations of the Compton profiles for NH$_4$F and NH$_4$Cl are used to enlighten the nature of the bonds in the NH$_4$F crystal. As a consequence, we are able to show significant charge transfer in the ammonium ion which is not observable using other methods. Our study provides a compelling proof for hydrogen bond formation in NH$_4$F.

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