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How the hydrogen bond in NH4F is revealed with Compton scattering

By B. Barbiellini, Ch. Bellin, G. Loupias, T. Buslaps and A. Shukla


International audienceIn order to probe electron wave functions involved in the bonding of NH4F, we have performed Compton scattering experiments in an oriented single crystal and in a powder. Ab initio calculations of the Compton profiles for NH4F and NH4Cl are used to enlighten the nature of the bonds in the NH4F 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 NH4F

Topics: PACS : 78.70.Ck, 71.15. m,, [ PHYS.QPHY ] Physics [physics]/Quantum Physics [quant-ph]
Publisher: American Physical Society
Year: 2009
DOI identifier: 10.1103/PhysRevB.79.155115
OAI identifier: oai:HAL:hal-00644055v1
Provided by: Hal-Diderot
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