Abstract: “Metallodithiolene complexes are well known for their charge transfer properties that great promise towards the development of material science due to the non-innocent nature of the dithiolene ligand. Dithione (Dt0) ligands exhibit significant charge delocalization across their thioamide moiety, making them redox-active ligands. The ability for Dt0 ligands to participate in redox processes, in conjunction with transition metalcore, grants such complexes potential access to additional redox states. In this project, octahedral cobalt Dt0 complexes, [Co(Me2 Dt0)3][PF6]3 (1) and [Co(iPr2 Dt0)3][PF6]3, (2) have been thoroughly characterized utilizing elemental analysis, mass spectroscopy, IR, UV-Vis, NMR, cyclic voltammetry, and DFT calculations. The excited state transitions of 1 and 2 were determined with TD-DFT calculations and visualized using electronic density difference maps (EDDMs). Low energy charge transfers for 1 and 2 are determined to be MLCT, while higher energy transitions are assigned as Dt0-based p → p* LL’CT.”
East Central IL ACS Undergraduate Research Conference
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Hi Thy, thanks for your presentation. Can you expand a bit on the applications of the species you synthesized? Has this species been synthesized before? If it has been synthesized before, are there benefits to your approach?
Thank you for your question Ms. Pacheco,
These complexes have can be utilize in near-IR dyes, and in photosensitizer solar cells. There are other species of metallodithiolene complexes that had been synthesized before. The most recent article is of copper dithione complexes: “Design, Synthesis, and Structure of Copper Dithione Complexes: Redox‐Dependent Charge Transfer” by Colston K., et al. https://doi.org/10.1002/ejic.201901222Citations: 3
In term of synthesis, I found it beneficial to use a binary solvent system that can provide solubility to the individual reactants, the yield was higher than of a single solvent system.