@article{johnson_schwarz_deegbey_prakash_sharma_huang_ericsson_haggstrom_bendix_gupta_et al._2023, title={Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited}, volume={8}, ISSN={["2041-6539"]}, DOI={10.1039/d3sc02806}, journal={CHEMICAL SCIENCE}, author={Johnson, Catherine Ellen and Schwarz, Jesper and Deegbey, Mawuli and Prakash, Om and Sharma, Kumkum and Huang, Ping and Ericsson, Tore and Haggstrom, Lennart and Bendix, Jesper and Gupta, Arvind Kumar and et al.}, year={2023}, month={Aug} }
 @article{johnson_schwarz_deegbey_prakash_sharma_huang_ericsson_haggstrom_bendix_gupta_et al._2023, title={Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited}, volume={14}, ISSN={["2041-6539"]}, DOI={10.1039/d3sc02806b}, abstractNote={Photoluminescence of the Fe III complex occurs only from its 2 LMCT state while its higher-energy but shorter-lived 2 MLCT state is non-luminescent. Blue emission arises instead from a photoproduct of the non-emitting Fe II complex.}, number={37}, journal={CHEMICAL SCIENCE}, author={Johnson, Catherine Ellen and Schwarz, Jesper and Deegbey, Mawuli and Prakash, Om and Sharma, Kumkum and Huang, Ping and Ericsson, Tore and Haggstrom, Lennart and Bendix, Jesper and Gupta, Arvind Kumar and et al.}, year={2023}, month={Sep}, pages={10129–10139} }
 @article{rodriguez_deegbey_chen_jakubikova_dempsey_2023, title={Isocyanide Ligands Promote Ligand-to-Metal Charge Transfer Excited States in a Rhenium(II) Complex}, volume={1}, ISSN={["1520-510X"]}, DOI={10.1021/acs.inorgchem.2c03193}, abstractNote={A metal-to-ligand charge transfer with mixed intraligand character is observed for the rhenium hexakisarylisocyanide complex [Re(CNAr)6]PF6 (CNAr = 2,6-dimethylphenylisocyanide, λmax = 300 nm). Upon oxidation to [Re(CNAr)6](PF6)2, the dominant low energy optical transition is a ligand-to-metal charge transfer (LMCT) mixed with intraligand transitions (λmax = 650 nm). TD-DFT was used to identify the participating ligand-based orbitals in the LMCT transition, revealing that the majority of the donor orbital is based on the aryl ring (85%) as opposed to the CN bond (14%). For both [Re(CNAr)6]+ and [Re(CNAr)6]2+, structural characterization by X-ray diffraction reveals deviations from Oh geometry at the central Re ion, with larger reduction in symmetry observed for Re(II). For [Re(CNAr)6]+, these structural changes lead to a broadening of the strong ν(C≡N) stretch (2065 cm-1), as the degeneracy of the T1u IR-active mode is broken. Furthermore, a shoulder is observed for this ν(C≡N) stretch, resulting from deviation of the C-N-Ar bond from linearity. By contrast, [Re(CNAr)6]2+ has two weak bands in the ν(C≡N) region (2065 and 2121 cm-1). DFT calculations indicate that reduction of symmetry at the central rhenium ion manifests in the decrease in intensity and the observed split of the ν(C≡N) band. Stability of both complexes are limited by light-induced decomposition where Re(I) dissociates a isocyanide ligand upon irradiation and Re(II) absorbance decays under ambient light. These data provide new insights to the electronic structure of [Re(CNAr)6]2+, enhancing our understanding of LMCT excited states and the versatility of isocyanide ligands.}, journal={INORGANIC CHEMISTRY}, author={Rodriguez, Tayliz M. and Deegbey, Mawuli and Chen, Chun-Hsing and Jakubikova, Elena and Dempsey, Jillian L.}, year={2023}, month={Jan} }
 @article{johnsen_deegbey_grills_polyansky_goldberg_jakubikova_mallouk_2023, title={Lewis Acids and Electron-Withdrawing Ligands Accelerate CO Coordination to Dinuclear Cu-I Compounds}, volume={62}, ISSN={["1520-510X"]}, DOI={10.1021/acs.inorgchem.3c01003}, abstractNote={A series of dinuclear molecular copper complexes were prepared and used to model the binding and Lewis acid stabilization of CO in heterogeneous copper CO2 reduction electrocatalysts. Experimental studies (including measurement of rate and equilibrium constants) and electronic structure calculations suggest that the key kinetic barrier for CO binding may be a σ-interaction between CuI and the incoming CO ligand. The rate of CO coordination can be increased upon the addition of Lewis acids or electron-withdrawing substituents on the ligand backbone. Conversely, Keq for CO coordination can be increased by adding electron density to the metal centers of the compound, consistent with stronger π-backbonding. Finally, the electrochemically measured kinetic results were mapped onto an electrochemical zone diagram to illustrate how these system changes enabled access to each zone.}, number={23}, journal={INORGANIC CHEMISTRY}, author={Johnsen, Walter D. and Deegbey, Mawuli and Grills, David C. and Polyansky, Dmitry E. and Goldberg, Karen I. and Jakubikova, Elena and Mallouk, Thomas E.}, year={2023}, month={May}, pages={9146–9157} }
 @article{rodriguez_deegbey_jakubikova_dempsey_2021, title={The ligand-to-metal charge transfer excited state of [Re(dmpe)(3)](2+)}, volume={7}, ISSN={["1573-5079"]}, DOI={10.1007/s11120-021-00859-7}, journal={PHOTOSYNTHESIS RESEARCH}, author={Rodriguez, Tayliz M. and Deegbey, Mawuli and Jakubikova, Elena and Dempsey, Jillian L.}, year={2021}, month={Jul} }