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RESEARCH PRODUCT
Role of Donor and Acceptor Substituents on the Nonlinear Optical Properties of Gold Nanoclusters
Hannu HäkkinenKoen ClaysThierry VerbiestStefan KnoppeStefan Knoppesubject
Materials scienceJelliumnanoclustersSubstituent02 engineering and technology010402 general chemistrygold clusters01 natural sciencesmonolayer-protected clustersNanoclusterschemistry.chemical_compoundPhysical and Theoretical Chemistryta116ta114ThiophenolSuperatomgoldOrders of magnitude (numbers)021001 nanoscience & nanotechnologyAcceptor0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographyGeneral Energychemistry0210 nano-technologySingle crystaldescription
In recent years, a large number of monolayer-protected clusters (MPCs) have been studied by means of single crystal structure characterization. A central aspect of research on MPCs is the correlation of their interesting optical properties with structural features and the formulation of a theoretical framework that allows interpretation of their unique properties. For this, superatom and jellium models have been proven successful. Little attention, however, has been paid to the influence of the protecting ligands. Here, we investigate the effect of changes in [Au25(SR)18-x(SR′)x]−, where SR′ represents a para-substituted thiophenolate derivative (SPh-4-X). We computed the first hyperpolarizabilities, screening a broad range of substituents X. For [Au25(SR)17(SR′)1]− clusters, significant first hyperpolarizabilities were calculated, spanning 2 orders of magnitude depending on X. A strong dependence on the electron-donating/withdrawing properties of the substituent was found for para-substituted thiophenol ...
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2018-02-08 | The Journal of Physical Chemistry C |