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Halogen molecular modifications at high pressure: The case of iodine

Shi J, Fonda E, Botti S, Marques MAL, Shinmei T, Irifune T, Flank AM, Lagarde P, Polian A, Itie JP, San-Miguel A (2021)

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Publication Type: Journal article

Publication year: 2021

Journal

Book Volume: 23

Pages Range: 3321-3326

Journal Issue: 5

DOI: 10.1039/d0cp05942k

Abstract

Metallization and dissociation are key transformations in diatomic molecules at high densities particularly significant for modeling giant planets. Using X-ray absorption spectroscopy and atomistic modeling, we demonstrate that in halogens, the formation of a connected molecular structure takes place at pressures well below metallization. Here we show that the iodine diatomic molecule first elongates by ∼0.007 Å up to a critical pressure ofPc∼ 7 GPa, developing bonds between molecules. Then its length continuously decreases with pressure up to 15-20 GPa. Universal trends in halogens are shown and allow us to predict for chlorine a pressure of 42 ± 8 GPa for molecular bond-length reversal. Our findings contribute to tackling the molecule invariability paradigm in diatomic molecular phases at high pressures and may be generalized to other abundant diatomic molecules in the universe, including hydrogen.

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How to cite

APA:

Shi, J., Fonda, E., Botti, S., Marques, M.A.L., Shinmei, T., Irifune, T.,... San-Miguel, A. (2021). Halogen molecular modifications at high pressure: The case of iodine. Physical Chemistry Chemical Physics, 23(5), 3321-3326. https://dx.doi.org/10.1039/d0cp05942k

MLA:

Shi, Jingming, et al. "Halogen molecular modifications at high pressure: The case of iodine." Physical Chemistry Chemical Physics 23.5 (2021): 3321-3326.

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