On the variation of the structure of liquid deuterium fluoride with temperature

S. E. McLain; C. J. Benmore; J. E. Siewenie; J. J. Molaison; J. F.C. Turner

doi:10.1063/1.1790432

On the variation of the structure of liquid deuterium fluoride with temperature

S. E. McLain, C. J. Benmore, J. E. Siewenie, J. J. Molaison, J. F.C. Turner

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Abstract

The structure of liquid deuterium fluoride (DF) using pulsed neutron diffraction and high energy x-ray diffraction techniques was investigated as a function of temperature. The low temperature structure of DF was characterized by well defined hydrogen bonding which was evidenced by a sharpening of both the intramolecular and first intermolecular correlations in the fluid with decreasing temperature. The shortening and sharpening of the correlations in the total pair correlation function at low temperature was found to be consistent with a greater degree of localization of the scattering density in the fluid. The structural data suggests that the winding chains become bent and twisted at higher temperatures, due to the increased hydrogen delocalization.

Original language	English
Pages (from-to)	6448-6455
Number of pages	8
Journal	Journal of Chemical Physics
Volume	121
Issue number	13
DOIs	https://doi.org/10.1063/1.1790432
State	Published - Oct 1 2004
Externally published	Yes

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abstract = "The structure of liquid deuterium fluoride (DF) using pulsed neutron diffraction and high energy x-ray diffraction techniques was investigated as a function of temperature. The low temperature structure of DF was characterized by well defined hydrogen bonding which was evidenced by a sharpening of both the intramolecular and first intermolecular correlations in the fluid with decreasing temperature. The shortening and sharpening of the correlations in the total pair correlation function at low temperature was found to be consistent with a greater degree of localization of the scattering density in the fluid. The structural data suggests that the winding chains become bent and twisted at higher temperatures, due to the increased hydrogen delocalization.",

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AU - McLain, S. E.

AU - Benmore, C. J.

AU - Siewenie, J. E.

AU - Molaison, J. J.

AU - Turner, J. F.C.

PY - 2004/10/1

Y1 - 2004/10/1

N2 - The structure of liquid deuterium fluoride (DF) using pulsed neutron diffraction and high energy x-ray diffraction techniques was investigated as a function of temperature. The low temperature structure of DF was characterized by well defined hydrogen bonding which was evidenced by a sharpening of both the intramolecular and first intermolecular correlations in the fluid with decreasing temperature. The shortening and sharpening of the correlations in the total pair correlation function at low temperature was found to be consistent with a greater degree of localization of the scattering density in the fluid. The structural data suggests that the winding chains become bent and twisted at higher temperatures, due to the increased hydrogen delocalization.

AB - The structure of liquid deuterium fluoride (DF) using pulsed neutron diffraction and high energy x-ray diffraction techniques was investigated as a function of temperature. The low temperature structure of DF was characterized by well defined hydrogen bonding which was evidenced by a sharpening of both the intramolecular and first intermolecular correlations in the fluid with decreasing temperature. The shortening and sharpening of the correlations in the total pair correlation function at low temperature was found to be consistent with a greater degree of localization of the scattering density in the fluid. The structural data suggests that the winding chains become bent and twisted at higher temperatures, due to the increased hydrogen delocalization.

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 13

ER -

On the variation of the structure of liquid deuterium fluoride with temperature

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