Reinvestigation of the electronic spectroscopy of the Au-Ar complex.
The Au-Ar complex is reinvestigated employing resonance-enhanced multiphoton ionization spectroscopy. Spectra are reported, corresponding to the atomic transition Au(6p<--6s). This electronic excitation yields (2)Pi and (2)Sigma(+) states of Au-Ar, which interact under the influence of spin-orbit coupling. The spectra are consistent with strong sigma-pi mixing induced by the large spin-orbit coupling of Au, leading to strong interaction of the two Omega=12 states, which arise from the Ar((1)S(0))+Au((2)P(12,32)) asymptotes, and the consequent formation of a "shelf" on the outer wall of the lowest Omega=12 state. In addition, high-level ab initio calculations are reported on the ground electronic state, X (2)Sigma(+), including extrapolation to the basis set limit.
Plowright
Richard J
RJ
School of Chemistry, University of Nottingham, University Park, Nottingham, United Kingdom.
Ayles
Victoria L
VL
Watkins
Mark J
MJ
Gardner
Adrian M
AM
Wright
Rossana R
RR
Wright
Timothy G
TG
Breckenridge
W H
WH