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COMBINED ANALYSIS OF THE $\widetilde{A}^2E^{\prime\prime}-\widetilde{X}^2E^{\prime}$ GAS-PHASE EXCITATION AND EMISSION SPECTRA OF Ag$_3$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/31007

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Title: COMBINED ANALYSIS OF THE $\widetilde{A}^2E^{\prime\prime}-\widetilde{X}^2E^{\prime}$ GAS-PHASE EXCITATION AND EMISSION SPECTRA OF Ag$_3$
Creators: Sioutis, Ilias; Stakhursky, Vadim; Pitzer, Russell M.; Miller, Terry A.
Issue Date: 2006
Abstract: Metal clusters are of considerable interest as they bridge the atomic and solid states. Among the heavier homonuclear coinage metals is silver trimer Ag$_3$, a particularly interesting molecule in that although the orbitally degenerate $\widetilde{X} ^{2}E^{\prime}$ and $\widetilde{A} ^{2}E^{\prime\prime}$ $D_{3h}$ states can undergo Jahn-Teller (JT) distortion to $C_{2v}$ states, spin-orbit splitting may partially quench this distortion. Both laser-induced fluorescence (LIF) and dispersed fluorescence (DF) spectra have been reported for Ag$_3$. Preliminary JT analyses for the $\widetilde{A}^2E^{\prime\prime}$ and $\widetilde{X}^2E^{\prime}$ states have been based, respectively, on the LIF and DF data. However the interpretation has been subject to some ambiguity. High level \emph{ab-initio} calculations have been performed with the express purpose of estimating the Jahn-Teller constants and spin-orbit effects in both states. These theoretically predicted molecular parameters initiated the Jahn-Teller simulations of the LIF and DF spectra, leading to an overall understanding of the spin-vibronic structure in each case.
URI: http://hdl.handle.net/1811/31007
Other Identifiers: 2006-RG-06
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