How the hydrogen bond inNH4Fis revealed with Compton scattering
| Autor: | Thomas Buslaps, Ch. Bellin, Bernardo Barbiellini, Abhay Shukla, G. Loupias |
|---|---|
| Rok vydání: | 2009 |
| Předmět: |
Materials science
Hydrogen bond Compton scattering 02 engineering and technology Electron Inelastic scattering 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Small-angle neutron scattering 3. Good health Electronic Optical and Magnetic Materials Crystal X-ray Raman scattering Ab initio quantum chemistry methods 0103 physical sciences Atomic physics 010306 general physics 0210 nano-technology |
| Zdroj: | Physical Review B. 79 |
| ISSN: | 1550-235X 1098-0121 |
| DOI: | 10.1103/physrevb.79.155115 |
| Popis: | In 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. |
| Databáze: | OpenAIRE |
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