Hydrogen bonding in ND3 probed by neutron diffraction to 24 GPa

S. Ninet; F. Datchi; S. Klotz; G. Hamel; J. S. Loveday; R. J. Nelmes

doi:10.1103/PhysRevB.79.100101

Hydrogen bonding in ND3 probed by neutron diffraction to 24 GPa

S. Ninet, F. Datchi, S. Klotz, G. Hamel, J. S. Loveday, R. J. Nelmes

School of Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

Abstract

The structure of deuterated ammonia has been determined as a function of pressure up to 24 GPa using powder neutron-diffraction techniques. The presence of an isostructural transition at approximately 18 GPa is confirmed and ascribed to a slight displacement of one D atom. As a result, the H bond formed by this D atom changes angle and becomes nearly straight (178 degrees) at 24 GPa. A departure from the molecular C-3v symmetry is also detected which is further supported by the evolution of the Raman spectra.

Original language	English
Article number	100101
Pages (from-to)	-
Number of pages	4
Journal	Physical review B
Volume	79
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevB.79.100101
Publication status	Published - Mar 2009

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10.1103/PhysRevB.79.100101

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abstract = "The structure of deuterated ammonia has been determined as a function of pressure up to 24 GPa using powder neutron-diffraction techniques. The presence of an isostructural transition at approximately 18 GPa is confirmed and ascribed to a slight displacement of one D atom. As a result, the H bond formed by this D atom changes angle and becomes nearly straight (178 degrees) at 24 GPa. A departure from the molecular C-3v symmetry is also detected which is further supported by the evolution of the Raman spectra.",

author = "S. Ninet and F. Datchi and S. Klotz and G. Hamel and Loveday, {J. S.} and Nelmes, {R. J.}",

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AU - Ninet, S.

AU - Datchi, F.

AU - Klotz, S.

AU - Hamel, G.

AU - Loveday, J. S.

AU - Nelmes, R. J.

PY - 2009/3

Y1 - 2009/3

N2 - The structure of deuterated ammonia has been determined as a function of pressure up to 24 GPa using powder neutron-diffraction techniques. The presence of an isostructural transition at approximately 18 GPa is confirmed and ascribed to a slight displacement of one D atom. As a result, the H bond formed by this D atom changes angle and becomes nearly straight (178 degrees) at 24 GPa. A departure from the molecular C-3v symmetry is also detected which is further supported by the evolution of the Raman spectra.

AB - The structure of deuterated ammonia has been determined as a function of pressure up to 24 GPa using powder neutron-diffraction techniques. The presence of an isostructural transition at approximately 18 GPa is confirmed and ascribed to a slight displacement of one D atom. As a result, the H bond formed by this D atom changes angle and becomes nearly straight (178 degrees) at 24 GPa. A departure from the molecular C-3v symmetry is also detected which is further supported by the evolution of the Raman spectra.

U2 - 10.1103/PhysRevB.79.100101

DO - 10.1103/PhysRevB.79.100101

M3 - Article

SN - 1098-0121

VL - 79

SP - -

JO - Physical review B

JF - Physical review B

IS - 10

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ER -

Hydrogen bonding in ND3 probed by neutron diffraction to 24 GPa

Abstract

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