Interaction of size-selected gold nanoclusters with dopamine

Georgia R. Montone; Eric Hermann; Anil K. Kandalam

doi:10.1117/12.2267738

21 December 2016 Interaction of size-selected gold nanoclusters with dopamine

Georgia R. Montone, Eric Hermann, Anil K. Kandalam

Proceedings Volume 10174, International Symposium on Clusters and Nanomaterials; 1017404 (2016) https://doi.org/10.1117/12.2267738
Event: International Symposium on Clusters and Nanomaterials, 2015, Richmond, Virginia, United States

Abstract

We present density functional theory based results on the interaction of size-selected gold nanoclusters, Au₁₀ and Au₂₀, with dopamine molecule. The gold clusters interact strongly with the nitrogen site of dopamine, thereby forming stable gold-dopamine complexes. Our calculations further show that there is no site specificity on the planar Au₁₀ cluster with all the edge gold atoms equally preferred. On the other hand, in the pyramidal Au₂₀ cluster, the vertex metal atom is the most active site. As the size increased from Au₁₀ to Au₂₀, the interaction strength has shown a declining trend. The effect of aqueous environment on the interaction strengths were also studied by solvation model. It is found that the presence of solvent water stabilizes the interaction between the metal cluster and dopamine molecule, even though for Au₁₀ cluster the energy ordering of the isomers changed from that of the gas-phase.

Citation Download Citation

Georgia R. Montone, Eric Hermann, and Anil K. Kandalam "Interaction of size-selected gold nanoclusters with dopamine", Proc. SPIE 10174, International Symposium on Clusters and Nanomaterials, 1017404 (21 December 2016); https://doi.org/10.1117/12.2267738

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