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. Author manuscript; available in PMC: 2021 Jul 26.
Published in final edited form as: Inorg Chem. 2018 Feb 7;57(4):1935–1949. doi: 10.1021/acs.inorgchem.7b02748

Figure 11.

Figure 11.

TD-DFT-calculated electronic absorption spectra of 1 and 2. Transition difference densities for the most intense transitions are shown at an isovalue of 0.0015 a0−3, with areas of decreased electron density (donors) shown in teal and increased electron density (acceptors) shown in purple.