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. 2019 Jul 17;10:3155. doi: 10.1038/s41467-019-11099-8

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© The Author(s) 2019

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. 8 — Selected frontier molecular orbitals involved in the excitation and singlet excited state/triplet excited state (TES) of Ir-4. VR stands for vibrational relaxation. The left column is ultraviolet–visible absorption (based on ground state geometry), the middle column is the fluorescence emission (based on S₁ state geometry), and the right column is the TES (based on ground state geometry). For clarity, only selected excited states are presented