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Iodine molecule modifications with high pressure

Authors: J. Shi, S. Botti, M.A.L. Marques, T. Shinmei, T. Irifune, E. Fonda, A.-M. Flank, P. Lagarde, O. Mathon, V. Pischedda, A. Polian, J.-P. Itié, and A. San-Miguel

Ref.: Phys. Chem. Chem. Phys. 23, 3321-3326 (2021)

Abstract: We explored the iodine-iodine intramolecular evolution in iodine crystals under high pressure using X-ray absorption spectroscopy and atomistic modeling. Both methods show that with increasing pressure, the iodine diatomic molecule elongates up to a critical pressure Pc ~7 GPa and then contracts with a lower rate. Experiments show that the iodine-iodine intramolecular distance increases by 0.03 Å up to Pc and then decreases to reach again the initial ambient pressure value at about 20 GPa. The observed change rate of the iodine-iodine bond length with pressure corresponds to the one already observed in bromine. Universal trends in halogens under increasing density are discussed allowing to predict for chlorine a critical pressure of 50+/-5 GPa for molecular bond-length reversal.

Citations: 2 (Google scholar)

DOI: 10.1039/D0CP05942K

URL: arxiv.org

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Bibtex:

@article{Shi_2021,
	doi = {10.1039/d0cp05942k},
	url = {https://doi.org/10.1039%2Fd0cp05942k},
	year = 2021,
	publisher = {Royal Society of Chemistry ({RSC})},
	volume = {23},
	number = {5},
	pages = {3321--3326},
	author = {Jingming Shi and Emiliano Fonda and Silvana Botti and Miguel A. L. Marques and Toru Shinmei and Tetsuo Irifune and Anne-Marie Flank and Pierre Lagarde and Alain Polian and Jean-Paul Iti{\'{e}} and Alfonso San-Miguel},
	title = {Halogen molecular modifications at high pressure: the case of iodine},
	journal = {Physical Chemistry Chemical Physics}
}