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

Abstract

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.

arXiv comment4 pages, 5 figures, accepted for publication as a Regular Article in Physical Review B

References in corpus (5)

• Compton scattering beyond the impulse approximation
• Hole depletion and localization due to disorder in insulating PrBa2Cu3O7-d: a Compton scattering study
• Ab initio calculations of the hydrogen bond
• Hydrogen bonding and coordination in normal and supercritical water from X-ray inelastic scattering
• Interpreting Compton anisotropy of ice Ih: a cluster partitioning method

Cited by in corpus (1)

• Oxygen disorder in ice probed by X-ray Compton scattering