How the hydrogen bond in NH4F is revealed with Compton scattering

被引：16

作者：

Barbiellini, B. ^{[1
]}

Bellin, Ch. ^{[2
]}

Loupias, G. ^{[2
]}

Buslaps, T. ^{[3
]}

Shukla, A. ^{[2
]}

机构：

[1] Northeastern Univ, Dept Phys, Boston, MA 02115 USA

[2] Univ Paris 06, Inst Mineral & Phys Mat Condensee, F-75015 Paris, France

[3] European Synchrotron Radiat Facil, F-38043 Grenoble, France

来源：

PHYSICAL REVIEW B | 2009年 / 79卷 / 15期

关键词：

ab initio calculations; ammonium compounds; charge exchange; Compton effect; crystal orientation; hydrogen bonds; powders; X-ray scattering; X-RAY-DIFFRACTION; ICE-I-H; AMMONIUM ION; PROFILES; CRYSTALS; FLUORIDE; CHLORIDE; NEUTRON;

D O I：

10.1103/PhysRevB.79.155115

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

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页数：4

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