DOI: 10.1063/1.444023. Raman and x-ray investigations of ice VII to 36.0 GPa

Raman and x-ray investigations of ice VII to 36.0 GPa

10.1063/1.444023

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Raman data for ice VII to 30 GPa and x-ray lattice parameters to 36 GPa, all at room temperature, are presented and discussed. Both the Raman OH-stretching peak frequency (Δv̄) and the edge distance of the body-centered cubic unit cell (a) decrease at a decreasing rate with pressure rise. The OH peak frequency is found to be virtually linear in the nearest-neighbor O–O distance (rOO) between about 2.5 and 2.9 Å. However, the data can also be fitted with a slight cubic dependence, which when extrapolated, gives rise to a minimum in Δv̄ at rOO=2.35±0.06 Å. This is close to the value of 2.4 Å found for the symmetric O–H–O units in other materials. This minimum suggests, but does not prove, that a symmetric hydrogen bond structure O–H–O, and thus a new ice, may result at pressures of about 75±20 GPa. Treatment of the O–H⋅⋅⋅O units according to couplet oscillators using experimentally confirmed assumptions indicates that Δv̄≊A/rOH2 which when combined with present and previously published data yields, approximately, A≊2943 cm−1 Å2. Thus, the decrease observed in Δv̄ is thought to occur because the OH bond length (rOH) increases with increasing pressure as the O–O distance rOO in the corresponding hydrogen-bonded O–H⋅⋅⋅O unit decreases.

Bibliography

Walrafen, G. E., Abebe, M., Mauer, F. A., Block, S., Piermarini, G. J., & Munro, R. (1982). Raman and x-ray investigations of ice VII to 36.0 GPa. The Journal of Chemical Physics, 77(4), 2166â2174.

Authors 6

G. E. Walrafen (first)
M. Abebe (additional)
F. A. Mauer (additional)
S. Block (additional)
G. J. Piermarini (additional)
R. Munro (additional)

References 27 Referenced 109

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Dates

Type	When
Created	22 years, 5 months ago (Feb. 28, 2003, 11:32 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 7:04 p.m.)
Indexed	1 month, 2 weeks ago (July 4, 2025, 9:03 a.m.)
Issued	43 years ago (Aug. 15, 1982)
Published	43 years ago (Aug. 15, 1982)
Published Print	43 years ago (Aug. 15, 1982)

Funders 0

None

BibTeX

@article{Walrafen_1982, title={Raman and x-ray investigations of ice VII to 36.0 GPa}, volume={77}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.444023}, DOI={10.1063/1.444023}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Walrafen, G. E. and Abebe, M. and Mauer, F. A. and Block, S. and Piermarini, G. J. and Munro, R.}, year={1982}, month=aug, pages={2166–2174} }

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  "abstract": "<jats:p>Raman data for ice VII to 30 GPa and x-ray lattice parameters to 36 GPa, all at room temperature, are presented and discussed. Both the Raman OH-stretching peak frequency (\u0394v\u0304) and the edge distance of the body-centered cubic unit cell (a) decrease at a decreasing rate with pressure rise. The OH peak frequency is found to be virtually linear in the nearest-neighbor O\u2013O distance (rOO) between about 2.5 and 2.9 \u00c5. However, the data can also be fitted with a slight cubic dependence, which when extrapolated, gives rise to a minimum in \u0394v\u0304 at rOO=2.35\u00b10.06\u2009\u00c5. This is close to the value of 2.4 \u00c5 found for the symmetric O\u2013H\u2013O units in other materials. This minimum suggests, but does not prove, that a symmetric hydrogen bond structure O\u2013H\u2013O, and thus a new ice, may result at pressures of about 75\u00b120 GPa. Treatment of the O\u2013H\u22c5\u22c5\u22c5O units according to couplet oscillators using experimentally confirmed assumptions indicates that \u0394v\u0304\u224aA/rOH2 which when combined with present and previously published data yields, approximately, A\u224a2943\u2009cm\u22121\u2009\u00c52. Thus, the decrease observed in \u0394v\u0304 is thought to occur because the OH bond length (rOH) increases with increasing pressure as the O\u2013O distance rOO in the corresponding hydrogen-bonded O\u2013H\u22c5\u22c5\u22c5O unit decreases.</jats:p>",
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