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. 2020 May 1;11:2131. doi: 10.1038/s41467-020-15998-z

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© The Author(s) 2020

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. 4 — Experimental pump-probe X-ray scattering signals corresponding to a 2 µs, 100 ps, and 1 ns delay from photoexcitation (black lines). Theoretical X-ray scattering difference for the DFT-based models calculated taking into account structural changes of [Cu₄(PCP)₃]⁺ as a result of the transition to the triplet state (red line). Fit that takes into account additionally the bulk solvent response due to ultrafast heating (blue line). The signal corresponding to 2 µs delay has been divided by 6.5 to match the scale.