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Electronic spectroscopy of the Au(6p)-Kr complex
Richard J Plowright1, Mark J Watkins, Adrian M Gardner
1School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom.
The Journal of Chemical Physics
|December 3, 2008
Summary
We studied the gold-krypton (Au-Kr) complex using advanced spectroscopy and ab initio calculations. This research details electronic transitions and provides an accurate dissociation energy for the Au-Kr ground state.
Area of Science:
- Physical Chemistry
- Atomic and Molecular Physics
- Spectroscopy
Background:
- The electronic structure of metal-rare gas complexes is crucial for understanding interatomic interactions.
- Gold-krypton (Au-Kr) interactions are of interest due to gold's unique electronic properties.
Purpose of the Study:
- To experimentally and theoretically investigate the electronic absorption spectra of the Au-Kr complex.
- To determine the dissociation energy of the ground state of the Au-Kr complex.
Main Methods:
- One- and two-color resonance-enhanced multiphoton ionization spectroscopy were employed to record electronic absorption spectra.
- Ab initio calculations were performed, considering atomic energy levels of gold (Au).
- Basis set extrapolated coupled-cluster with singles, doubles, and triples (RCCSD(T)) calculations were used to determine dissociation energy.
Main Results:
- Observed electronic transitions localized on the gold atom, corresponding to a 6p<--6s atomic excitation.
- Identified transitions to the D (2)Pi(1/2) and D (2)Pi(3/2) spin-orbit states.
- Reported an accurate value for the dissociation energy of the ground state of the Au-Kr complex.
Conclusions:
- The study provides a comprehensive understanding of the electronic states and bonding in the Au-Kr complex.
- Experimental findings are consistent with theoretical predictions, validating the computational approach.
- The accurate dissociation energy offers valuable data for theoretical modeling and chemical applications involving Au-Kr.
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