Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2022 Oct 28;13:6420. doi: 10.1038/s41467-022-34137-4

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© 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/.

PMC Copyright notice

Fig. 8 — Results of the simultaneous global fit of UV–VIS (a) and FTIR (c) data upon 10 min of illumination. The kinetic model used for the fit is shown on top of the panel with the respective lifetime for each transition between intermediates. The same colour code is used for the corresponding EAS components in panels (a and c). Refer to the main text for an explanation of the relationship between the resolved EAS and the illuminated structural intermediates I1–I4 (Figs. 1c, 6). a UV–VIS EAS. For EAS1 spectrum multiplication a factor of 0.3 was used. b EAS2 component was compared to the original OCP^O spectrum. c FTIR EAS (in D₂O); FTIR (in H₂O) is shown in Supplementary Fig. 1f. Insert: Relative concentration profiles for each EAS. d Theoretical IR frequencies and intensities were calculated using harmonic frequency calculations (HFC) at the B3LYP/6-311+G level. IR values were calculated for CAN in the two (CAN_Dark and CAN_I1) states using CAN coordinates extracted from the extrapolated maps. Theoretical IR frequencies and calculated FTIR spectra are presented by sticks and solid lines respectively. Optimized CAN coordinates from HFC are shown on top of the panel. CAN_I1-CAN_Dark (red dotted line) obtained from HFC agree with the 1542 cm⁻¹ bleach from the 38-s EAS2 (red solid line). Source data are provided as a Source Data file.