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Article Dans Une Revue Journal of Chemical Physics Année : 2021

Doping effect on the structure and properties of eight-electron silver nanoclusters

Résumé

The bimetallic M and M compounds, {[CuAg{SP(OPr)}] [CuAg{SP(OPr)}]} ({[1a][1b]}) and [CuAg{SP(OPr)}](PF) (2), have been structurally characterized, in which the Cu(I) ions are randomly distributed on the eight outer positions capping the eight-electron [Ag] core. DFT calculations show that the statistical disorder results from the nearly neutral preference of copper to occupy any of the eight outer positions. Surprisingly, the UV-Vis absorption spectra of the M and M bimetallic nanoclusters display an almost identical absorption profile as that of their homometallic [Ag{SP(OPr)}] and [Ag{SP(OPr)}] relatives. This is rationalized by TD-DFT calculations, which show that the frontier orbitals of such eight-electron alloys are largely independent from the nature of the capping metal ions. A blue-shifted absorption is observed upon replacing by Au the central Ag atom in 2, forming the trimetallic compound [CuAuAg{SP(OPr)}](PF) (3).
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Dates et versions

hal-03333744 , version 1 (16-09-2021)

Identifiants

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Yu-Jie Zhong, Jian-Hong Liao, Tzu-Hao Chiu, Franck Gam, Samia Kahlal, et al.. Doping effect on the structure and properties of eight-electron silver nanoclusters. Journal of Chemical Physics, 2021, 155 (3), pp.034304. ⟨10.1063/5.0059305⟩. ⟨hal-03333744⟩
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