Issue 1, 2015

Stabilization of H3+ in the high pressure crystalline structure of HnCl (n = 2–7)

Abstract

The particle-swarm optimization method has been used to predict the stable high pressure structures up to 300 GPa of hydrogen-rich group 17 chlorine (HnCl, n = 2–7) compounds. In comparison to the group 1 and 2 hydrides, the structural modification associated with increasing pressure and hydrogen concentration is much less dramatic. The polymeric HCl chains already present in the low temperature phase under ambient pressure persist in all the high pressure structures. No transfer of electrons from the chlorine atoms into the interstitial sites is found. This indicates the chemical bonding at high pressure in group 17 elements is fundamentally different from the alkali and alkaline elements. It is found that almost perfectly triangular H3+ ions can be stabilized in the crystalline structure of H5Cl.

Graphical abstract: Stabilization of H3+ in the high pressure crystalline structure of HnCl (n = 2–7)

Article information

Article type
Edge Article
Submitted
12 Sep 2014
Accepted
20 Oct 2014
First published
21 Oct 2014
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY license

Chem. Sci., 2015,6, 522-526

Author version available

Stabilization of H3+ in the high pressure crystalline structure of HnCl (n = 2–7)

Z. Wang, H. Wang, J. S. Tse, T. Iitaka and Y. Ma, Chem. Sci., 2015, 6, 522 DOI: 10.1039/C4SC02802C

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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