How the hydrogen bond in NH$_4$F is revealed with Compton scattering
Materials Science
2009-04-21 v1
Abstract
In order to probe electron wave functions involved in the bonding of NHF, we have performed Compton scattering experiments in an oriented single crystal and in a powder. Ab initio calculations of the Compton profiles for NHF and NHCl are used to enlighten the nature of the bonds in the NHF 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 NHF.
Keywords
Cite
@article{arxiv.0903.3632,
title = {How the hydrogen bond in NH$_4$F is revealed with Compton scattering},
author = {B. Barbiellini and Ch. Bellin and G. Loupias and T. Buslaps and A. Shukla},
journal= {arXiv preprint arXiv:0903.3632},
year = {2009}
}
Comments
4 pages, 5 figures, accepted for publication as a Regular Article in Physical Review B