1. Molecular and Electronic Structure of the Cluster [Au8(PPh3)8](NO3)2.
- Author
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Gutrath, Benjamin S., Schiefer, Frank, Homberger, Melanie, Englert, Ulli, Şerb, Mihaela‐D., Bettray, Wolfgang, Beljakov, Igor, Meded, Velimir, Wenzel, Wolfgang, and Simon, Ulrich
- Subjects
GOLD nanoparticle synthesis ,GOLD clusters ,ELECTRONIC structure ,TRIPHENYLPHOSPHINE ,BAND gaps ,SCALING laws (Statistical physics) - Abstract
We present a detailed structural discussion of [Au
8 (PPh3 )8 ](NO3 )2 , crystallized as a CH2 Cl2 solvate. Its structure is compared with closely related triphenylphosphine-stabilized gold clusters. Characterization by optical extinction spectroscopy, luminescence spectroscopy, voltammetry and DFT calculations was performed to determine the electronic HOMO-LUMO gap. Comparison of its characteristic energies with those of structurally related clusters revealed that the evolution of the HOMO-LUMO gap does not follow a simple scaling law but depends on specific structural features. [ABSTRACT FROM AUTHOR]- Published
- 2016
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