Abstract
The Raman spectrum of the uncoupled O–H and O–D stretching vibrations of HDO dissolved in H2O high-density amorphous ice, that was made from ice Ih, has been measured at 12 K for the sample as recovered at 77 K and after heating it at 5 K min−1 from 12 K to, successively, 80, 90, 100, ..., 170 K and annealing there for 5 min. The distribution of hydrogen-bonded O–H--O and O–D--O distances was estimated by using an experimental curve of the O–H stretching frequency as a function of the O--O distance in ice VII, as suitably adjusted using the frequency in ice I. The most probable bond length, as estimated from the peak frequency, is 2.83 Å, which is 0.08 Å longer than the length in ice I, and the distribution of bond lengths has a width at half-height of 0.19 Å. When the sample was heated to 80, 90, 100, 110, and 120 K in succession, the peak frequency and the width at half-height, as measured at 12 K, decreased by amounts that corresponded to a decrease of the most probable distance from 2.83 to 2.76 Å and a decrease of the width at half-height from 0.19 to 0.09 Å. The phase produced at 120 K is a low-density amorph, and it changes little after heating to 130 and 140 K. After heating to 150 K it changes to ice Ic, whose peak frequency implies an O--O distance of 2.75 Å.
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Dates
| Type | When |
|---|---|
| Created | 23 years ago (July 26, 2002, 9:10 a.m.) |
| Deposited | 1 year, 6 months ago (Feb. 10, 2024, 1:10 a.m.) |
| Indexed | 1 month ago (July 25, 2025, 6:01 a.m.) |
| Issued | 38 years, 3 months ago (May 15, 1987) |
| Published | 38 years, 3 months ago (May 15, 1987) |
| Published Print | 38 years, 3 months ago (May 15, 1987) |
@article{Klug_1987, title={High-density amorphous ice. IV. Raman spectrum of the uncoupled O–H and O–D oscillators}, volume={86}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.452557}, DOI={10.1063/1.452557}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Klug, D. D. and Mishima, Osamu and Whalley, Edward}, year={1987}, month=may, pages={5323–5328} }