Reinvestigation of the electronic spectroscopy of the Au–Ar complex

Plowright, Richard J.; Ayles, Victoria L.; Watkins, Mark J.; Gardner, Adrian M.; Wright, Rossana R.; Wright, Timothy G.; Breckenridge, W. H.

doi:doi:10.1063/1.2800006

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The permanent electric dipole moment of chromium monodeuteride, CrD

A number of low-N lines of the X 6Σ+←A 6Σ+(0,0) band of chromium monodeuteride, CrD, have been recorded at near the natural linewidth limit by high resolution laser excitation spectroscopy of a supersonic molecular beam sample. The shifts and splitting of these lines caused by a static electric field have been analyzed to give the permanent electric dipole moments of the X 6Σ+(υ = 0) and A 6Σ+(υ = 0) states as 3.510(33) and 1.153(3) D, respectively. The dipole moment of the A 6Σ+(υ = 0) state c...

Temperature and heat capacity of atomic clusters as estimated in terms of kinetic-energy release of atomic evaporation

The temperature and heat capacity of isolated atomic clusters are studied in terms of an ab initio statistical theory of kinetic energy distribution by atomic evaporation. Two definitions of canonical temperature are examined and numerically compared: One is based on the most probable kinetic energy release (KER), whereas the other is determined with use of the entire distribution of the KER. The mutual relationship and their advantages are discussed.

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 ²Π and ²Σ⁺ states of Au–Ar, which interact under the influence of spin-orbit coupling. The spectra are consistent with strong σ-π mixing induced by the large spin-orbit coupling of Au, leading to strong interaction of the two Ω = 1/2 states, which arise from the Ar(¹S₀)+Au(²P_1/2,3/2) asymptotes, and the consequent formation of a “shelf” on the outer wall of the lowest Ω = 1/2 state. In addition, high-level ab initio calculations are reported on the ground electronic state, math

²Σ⁺, including extrapolation to the basis set limit.

Article Outline

INTRODUCTION
EXPERIMENT
RESULTS
DISCUSSION
CONCLUSIONS

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KEYWORDS and PACS

Keywords

ab initio calculations, gold compounds, ground states, molecule-photon collisions, multiphoton processes, photoionisation, quasimolecules, spin-orbit interactions

PACS

33.80.Rv

Multiphoton ionization and excitation to highly excited states (e.g., Rydberg states)
33.80.Eh

Autoionization, photoionization, and photodetachment
31.15.A-

Ab initio calculations

ARTICLE DATA

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http://dx.doi.org/10.1063/1.2800006

PUBLICATION DATA

ISSN

0021-9606 (print)

1089-7690 (online)

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American Institute of Physics

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