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Very strong hydrogen bonds in a bent chain structure of fluorohydrogenate anions in liquid
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10.1063/1.2944269
/content/aip/journal/jcp/129/1/10.1063/1.2944269
http://aip.metastore.ingenta.com/content/aip/journal/jcp/129/1/10.1063/1.2944269
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

X-ray-weighted and neutron-weighted total structure factors of liquid at room temperature.

Image of FIG. 2.
FIG. 2.

X-ray-weighted and neutron-weighted total-pair distribution functions of liquid . H–F(I): H–F covalent bond; H–F(II): H…F hydrogen bond. X-ray data is displaced upward by 5 for clarity. Fourier transformations were performed with and for x-ray and neutron data, respectively.

Image of FIG. 3.
FIG. 3.

Calculated x-ray-weighted and neutron-weighted total structure factors and associated weighted partial structure factors obtained from the RMC model for liquid . Dotted lines: experimental data; solid lines: RMC model, where denotes the x-ray-weighted or neutron-weighted factor (see Fig. S1). Successive curves are displaced upward for clarity. Dashed lines are guides to the eye.

Image of FIG. 4.
FIG. 4.

Partial pair distribution functions of liquid derived from the RMC model.

Image of FIG. 5.
FIG. 5.

Bond angle distributions of H–F–H and F–H–F in liquid derived from the RMC model.

Image of FIG. 6.
FIG. 6.

A -thickness snapshot of the RMC model. Sticks represent H–F chains. Gray: H–F covalent bond; black: H…F hydrogen bond. Black spheres represent the cesium ion.

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/content/aip/journal/jcp/129/1/10.1063/1.2944269
2008-07-07
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Very strong hydrogen bonds in a bent chain structure of fluorohydrogenate anions in liquid Cs(FH)2.3F
http://aip.metastore.ingenta.com/content/aip/journal/jcp/129/1/10.1063/1.2944269
10.1063/1.2944269
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