Nonadiabatic structure instability of planar hexagonal gold cluster cation Au7 and its spectral signature

  • J. R. Soto, B. Molina, J. J. Castro
  • RSC Advances, January 2014, Royal Society of Chemistry
  • DOI: 10.1039/c3ra46463f

Puckering of the Au7 cation cluster.

What is it about?

In this paper we present a theoretical analysis, which predicts a 2d-3d structural transition for the cation Au7 hexagonal cluster. We discuss the effects the electron-vibron coupling would have on Raman, Infrared and UV-vis spectra.

Why is it important?

In this paper we showed that the hexagonal gold cluster can suffer similar distortions to organics like benzene and we quantify the effects on its spectral behavior. We prove that the hexagonal gold cation of seven atoms can not be plane due to the Jahn-Teller effect.

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http://dx.doi.org/10.1039/c3ra46463f

The following have contributed to this page: Jorge Ramón Soto Mercado