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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Radicals And Ions

Scientific paper

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 ^1A_1 ← ^2A_1 transition is responsible for the observed MATI spectra. The cluster has C2v 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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