VIBRATIONAL AND GEOMETRIC STRUCTURES OF La${_3}$C${_2}$O AND La${_3}$C${_2}$O$^+$ FROM MASSE-ANALYZED THRESHOLD IONIZATION
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Date
2011
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Ohio State University
Abstract
La${_3}$C${_2}$O is produced for the first time by laser vaporization in a pulsed cluster source and identified by photoionization time-of-flight mass spectrometry. Vibrationally-resolved ion spectra are obtained with mass-analyzed threshold ionization (MATI) spectroscopy. The adiabatic ionization energy of La${_3}$C${_2}$O is measured to be 30891(5) cm$^{-1}$. The spectra display several short vibrational progressions, and these progressions are associated mainly with La-La, La-C and La${_3}$C${_2}$O stretching excitations. The electron-spin multiplicities and molecular symmetries of La${_3}$C${_2}$O and La${_3}$C${_2}$O$^+$ are determined by combining the experimental measurements with ab initio calculations at MP2 level. Preliminary data analysis shows that the $^1$A$_1$ $\leftarrow$ $^2$A$_1$ transition is responsible for the observed MATI spectra. The cluster has C$_{2v}$ symmetry with La${_3}$C${_2}$O in a bi-pyramid structure and oxygen being attached to the La$_3$ plane.
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Author Institution: Department of Chemistry, University of Kentucky, Lexington, KY 40506-0055