Session: COMP Poster Session:

Gold nanoparticles can be utilized in many different applications such as the detection of biological diseases, drug delivery in the body, and as materials for catalysis. Because of their many different applications, it is important for us to learn more about their structural, electronic, optical, and electrochemical properties. We report on the synthesis and theoretical characterization of three multi-shell metalloid gold clusters of the composition Au₃₂(R₃P)₁₂Cl₈ (R= Et, ⁿPr, ⁿBu). Experimental UV-Vis spectra revealed that changing the R group bound to the phosphine had only a minimal change in the electronic energy levels. Theoretical UV-Vis spectra obtained using time-dependent DFT (TDDFT) shows good agreement with experimental results. Quantum chemical calculations also illustrate that the Jahn-Teller effect observed within the cluster core can be attributed to electronic shell filling. Finally, Au-Au bond lengths in the system range from 2.80 Å – 3.02 Å.

Andre Clayborne

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