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. 2022 Jul 21;13:4210. doi: 10.1038/s41467-022-31700-x

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© The Author(s) 2022

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 2 — a Experimental THz/Fourier-transform infrared (THz/FTIR) absorption spectra of HCl solutions at various concentrations (colored broken lines for 2 M to 10 M), compared to literature data of pure water⁷⁴ (blue broken line). The experimentally measured extinction spectra have been converted into energy absorption spectra using the Kramers–Kronig relation, no amplitude adjustment is used in the comparison with the ab initio spectra (solid lines). b Experimental and ab initio molecular dynamics (MD) difference spectra derived from the results given in a and plotted in the respective colors and line styles. c The experimental difference spectra (shown in b) are divided by the HCl concentration c_HCl (colored broken lines) and compared to the average of the simulated difference spectra after dividing by c_HCl (black solid line).