dc.creator Reddic, J. E. en_US dc.creator Velasquez, J. en_US dc.creator Kirschner, K. N. en_US dc.creator Duncan, M. A. en_US dc.date.accessioned 2006-06-15T19:59:21Z dc.date.available 2006-06-15T19:59:21Z dc.date.issued 2000 en_US dc.identifier 2000-RF-04 en_US dc.identifier.uri http://hdl.handle.net/1811/19773 dc.description Author Institution: Department of Chemistry, University of Georgia en_US dc.description.abstract The weakly bound complex $Ca^{+} -Ar_{2}$ produced by laser ablation in a pulsed nozzle cluster is studied with mass-selected resonance enhanced photodissociation spectroscopy. A short doublet progression. ($\omega^{\prime}_{e} = 82.07 cm^{-1}$) to the blue of the $^{2}D \leftarrow ^{2}S$ atomic transition is assigned to the $D^{2}\Pi_{r}, \leftarrow X^{2}\Sigma^{+}$ system. Spin-orbit splitting ($A=19.67 cm^{-1}$) of the doublets suggests a linear geometry: A peak observed at $13956 cm^{-1}$ is assigned the $C^{2}\Sigma_{r} \leftarrow X^{2}\Sigma^{+}$ system. No systems are detected from the derived atomic transition $^{2}P \leftarrow ^{2}S$ in this complex. Additionally, complexes with more than two rare-gas ligands were probed and showed no sharp structure. M${\oslash}$ller-Plesset second-order perturbation theory was used to determine the $Ca^{+} -Ar_{2}$ bond distances ($r_{e}$) of 3.064 \AA and a dissociation energy $(D_{e})$ for atomization of 4.864 kcal/mol ($Ca^{+} -Ar_{2} \rightarrow Ca^{+} +2Ar$). This calculation included the correlation of the valence and core electron using a generated basis set for calcium and the aug-ccVQZ basis set for the argon atoms, resulting in a total of 271 basis functions for the calculations. en_US dc.format.extent 98754 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title PHOTODISSOCIATION SPECTROSCOPY OF THE $Ca^{+}, Ar_{2}$ COMPLEX en_US dc.type article en_US
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