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Electronic Structure and Photophysics of Low Spin d ⁵ Metallocenes

https://doi.org/10.1021/acs.inorgchem.3c03451

May, Ann Marie; Deegbey, Mawuli; Edme, Kedy; Lee, Katherine J; Perutz, Robin N; Jakubikova, Elena; Dempsey, Jillian L (January 2024, Inorganic Chemistry)

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Isocyanide Ligands Promote Ligand-to-Metal Charge Transfer Excited States in a Rhenium(II) Complex

https://doi.org/10.1021/acs.inorgchem.2c03193

Rodriguez, Tayliz M.; Deegbey, Mawuli; Chen, Chun-Hsing; Jakubikova, Elena; Dempsey, Jillian L. (May 2023, Inorganic Chemistry)

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The ligand-to-metal charge transfer excited state of [Re(dmpe)3]2+

https://doi.org/10.1007/s11120-021-00859-7

Rodriguez, Tayliz M.; Deegbey, Mawuli; Jakubikova, Elena; Dempsey, Jillian L. (July 2021, Photosynthesis Research)
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The ligand-to-metal charge transfer (LMCT) transitions of [Re(dmpe)3]2+ (dmpe = bis-1,2-(dimethylphosphino)ethane) were interrogated using UV/Vis absorbance spectroscopy, photoluminescence spectroscopy, and time-dependent density functional theory. The solvent dependence of the lowest energy charge transfer transition was quantified; no solvatochromism was observed. TD-DFT calculations reveal the dominant LMCT transition is highly symmetric and delocalized involving all phopshine ligand donors in the charge transfer, providing an understanding for the absence of solvatochromism of [Re(dmpe)3]2+.
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