@article{deaton_taliaferro_pitman_czerwieniec_jakubikova_miller_castellano_2018, title={Excited-State Switching between Ligand-Centered and Charge Transfer Modulated by Metal–Carbon Bonds in Cyclopentadienyl Iridium Complexes}, volume={57}, ISSN={0020-1669 1520-510X}, url={http://dx.doi.org/10.1021/acs.inorgchem.8b02753}, DOI={10.1021/acs.inorgchem.8b02753}, abstractNote={Three series of pentamethylcyclopentadienyl (Cp*) Ir(III) complexes with different bidentate ligands were synthesized and structurally characterized, [Cp*Ir(tpy)L] n+ (tpy = 2-tolylpyridinato; n = 0 or 1), [Cp*Ir(piq)L] n+ (piq = 1-phenylisoquinolinato; n = 0 or 1), and [Cp*Ir(bpy)L] m+ (bpy = 2,2'-bipyridine; m = 1 or 2), featuring a range of monodentate carbon-donor ligands within each series [L = 2,6-dimethylphenylisocyanide; 3,5-dimethylimidazol-2-ylidene (NHC); methyl)]. The spectroscopic and photophysical properties of these molecules and those of the photocatalyst [Cp*Ir(bpy)H]+ were examined to establish electronic structure-photophysical property relationships that engender productive photochemical reactivity of this hydride and its methyl analogue. The Ir(III) chromophores containing ancillary CNAr ligands exhibited features anticipated for predominantly ligand-centered (LC) excited states, and analogues bearing the NHC ancillary exhibited properties consistent with LC excited states containing a small admixture of metal-to-ligand charge-transfer (MLCT) character. However, the molecules featuring anionic and strongly σ-donating methyl or hydride ligands exhibited photophysical properties consistent with a high degree of CT character. Density functional theory calculations suggest that the lowest energy triplet states in these complexes are composed of a mixture of MLCT and ligand-to-ligand CT originating from both the Cp* and methyl or hydride ancillary ligands. The high degree of CT character in the triplet excited states of methyliridium complexes bearing C^N-cyclometalated ligands offer a striking contrast to the photophysical properties of pseudo-octahedral structures fac-Ir(C^N)3 or Ir(C^N)2(acac) that have lowest-energy triplet excited states characterized as primarily LC character with a more moderate MLCT admixture.}, number={24}, journal={Inorganic Chemistry}, publisher={American Chemical Society (ACS)}, author={Deaton, Joseph C. and Taliaferro, Chelsea M. and Pitman, Catherine L. and Czerwieniec, Rafał and Jakubikova, Elena and Miller, Alexander J. M. and Castellano, Felix N.}, year={2018}, month={Dec}, pages={15445–15461} }
 @article{deaton_chakraborty_czerwieniec_yersin_castellano_2018, title={Temperature dependence of photophysical properties of a dinuclear CCN-cyclometalated Pt(II) complex with an intimate Pt-Pt contact. Zero-field splitting and sub-state decay rates of the lowest triplet}, volume={20}, ISSN={["1463-9084"]}, url={https://doi.org/10.1039/C8CP05213A}, DOI={10.1039/c8cp05213a}, abstractNote={A dinuclear Pt(ii) complexes exhibits an unusually large zero field splitting in its metal–metal-to-ligand charge transfer triplet excited state.}, number={38}, journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS}, publisher={Royal Society of Chemistry (RSC)}, author={Deaton, Joseph C. and Chakraborty, Arnab and Czerwieniec, Rafal and Yersin, Hartmut and Castellano, Felix N.}, year={2018}, month={Oct}, pages={25096–25104} }
 @article{leong_foster_wong_spoerke_van gough_deaton_allendorf_2014, title={Energy and charge transfer by donor-acceptor pairs confined in a metal-organic framework: a spectroscopic and computational investigation}, volume={2}, ISSN={["2050-7496"]}, DOI={10.1039/c3ta14328g}, abstractNote={A metal–organic framework serves as a multifunctional host for donor and acceptor molecules, enabling energy harvesting and transfer without phase segregation.}, number={10}, journal={JOURNAL OF MATERIALS CHEMISTRY A}, author={Leong, Kirsty and Foster, Michael E. and Wong, Bryan M. and Spoerke, Erik D. and Van Gough, Dara and Deaton, Joseph C. and Allendorf, Mark D.}, year={2014}, pages={3389–3398} }