Electronic Spectroscopy of the 6p ← 6s Transition in Au−Ne: Trends in the Au−RG Series

Abstract

We report electronic spectra of the Au-Ne complex, obtained in the vicinity of the Au atomic 6p <-- 6s transition. The structured spectrum found near the (2)P(3/2) <-- (2)S(1/2) transition is analyzed. We also explain the nonobservance of a spectrum close to the 6(2)P(1/2) state, using the results of high level ab initio calculations and insight from previous work on other Au-RG complexes (where RG = Ar, Kr, and Xe). Basis set extrapolated RCCSD(T) potential energy curves are also presented for the X(2)Sigma(+) ground state of Au-Ne, and the derived D(e) value is compared to experimental values. We then present an overview of trends through the Au-RG series: included in this are calculations on the X states of Au-He and Au-Rn, as well as for Au(+)-He. We also report further calculations on the states which arise from the interaction of Au(6(2)P(J)) with the rare gas atoms and include a Franck-Condon simulation of the D(2)Pi(3/2) <-- X(2)Sigma(1/2)(+) transition for Au-Ar. Trends in the spectroscopy across this series are summarized, and the Hund's case (a)/(c) character discussed.