Structural Mechanisms of Phase Transitions of Water Ices II, IV, and V to Metastable Ice Ic at Atmospheric Pressure

E. A. Zheligovskaya; Желиговская Е. А.

doi:10.31857/S0044453723010399

Structural Mechanisms of Phase Transitions of Water Ices II, IV, and V to Metastable Ice Ic at Atmospheric Pressure

Authors: Zheligovskaya E.A.¹
Affiliations:
1. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences
Issue: Vol 97, No 1 (2023)
Pages: 13-20
Section: ПАМЯТИ Н.А. БУЛЬЕНКОВА
URL: https://journals.rcsi.science/0044-4537/article/view/136508
DOI: https://doi.org/10.31857/S0044453723010399
EDN: https://elibrary.ru/BEDKRW
ID: 136508

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Abstract
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Abstract

Model structural mechanisms of transitions between crystalline water ices II → Ic, IV → Ic, and V → Ic are proposed. It is established that in the proposed II → Ic transition mechanism, one of the three systems of infinite parallel chains consisting of adjacent hexacycles and running along the 〈0001〉 direction of ice II is preserved, and these chains become parallel to one of the 〈211〉 directions of ice Ic. The proposed mechanism of the V → Ic transition preserves both systems of infinite parallel chains of adjacent hexacycles extended along the [101] and [10–1] directions of ice V; in ice Ic, they run along two directions 〈211〉 parallel to the same {120} plane. According to the proposed mechanism of the IV → Ic transition, puckered surfaces of hexacycles are retained. In all three cases, 3/4 of all hydrogen bonds are retained during the transition, and 1/4 of the bonds are rearranged. It is shown that the structures of ices II, IV, and V consist of the same structural element, which is slightly modified in ice V.

Keywords

crystalline water ices II, IV, and V, phase transitions, structural mechanism

About the authors

E. A. Zheligovskaya

Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences

Author for correspondence.
Email: lmm@phyche.ac.ru
119071, Moscow, Russia

References

Памяти Н.А. Бульенкова // Журн. физ. химии. 2022. Т. 96. № 6. С. 917.
Бульенков Н.А. // Биофизика. 1991. Т. 36. № 2. С. 181.
Бульенков Н.А. // Там же. 2005. Т. 50. № 5. С. 934.
Бульенков Н.А. // Кристаллография. 2011. Т. 56. № 4. С. 729.
Bulienkov N.A., Zheligovskaya E.A. // Struct. Chem. 2017. V. 28. № 1. P. 75. https://doi.org/10.1007/s11224-016-0837-3
Zheligovskaya E.A., Bulienkov N.A. // Physics of Wave Phenomena. 2021. V. 29. No. 2. P. 141. https://doi.org/10.3103/S1541308X21020163
Бульенков Н.А. // Докл. АН СССР. 1985. Т. 284. № 6. С. 1392. (Физическая химия)
Желиговская Е.А., Бульенков Н.А. // Кристаллография. 2008. Т. 53. № 6. С. 1126.
Желиговская Е.А., Маленков Г.Г. // Успехи химии. 2006. Т. 75. № 1. С. 64.
del Rosso L., Celli M., Grazzi F. et al. // Nature Materials. 2020. V. 19. P. 663. https://doi.org/10.1038/s41563-020-0606-y
Salzmann C.G. // J. Chem. Phys. 2019. V. 150. P. 060901 (1–10). https://doi.org/10.1063/1.5085163
Komatsu K., Machida S., Noritake F. et al. // Nature Communications. 2020. V. 11. P. 464 (1–5). https://doi.org/10.1038/s41467-020-14346-5
Желиговская Е.А. // Кристаллография. 2015. Т. 60. № 5. С. 779.
Kamb B. // Sci. 1965. V. 150. P. 205. https://doi.org/10.1126/science.150.3693.205
Kamb B. // Acta Cryst. 1964. V. 17. P. 1437. https://doi.org/10.1107/S0365110X64003553
Engelhardt H., Kamb B. // J. Chem. Phys. 1981. V. 75. P. 5887. https://doi.org/10.1063/1.442040
Kamb B., Prakash A., Knobler C. // Acta Cryst. 1967. V. 22. P. 706. https://doi.org/10.1107/S0365110X67001409