SPECTROSCOPIC CHARACTERIZATION OF Be$_{2}$$^{+}$ X$^{2}$$\Sigma$$_{u}$$^{+}$ AND THE IONIZATION ENERGY OF Be$_{2}$
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Date
2011
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Ohio State University
Abstract
Rotationally resolved spectra for Be$_{2}$$^{+}$ were recorded with PFI-ZEKE technique. Vibrational levels v$^{+}$=0-6 were observed. The symmetry of the ground state was determined as $^{2}$$\Sigma$$_{u}$$^{+}$. The bond energy was found to be D$_{e}$$^{+}$ = 16348(5) cm$^{-1}$ and the equilibrium distance R$_{e}$$^{+}$ = 2.211(8) \AA. The ionization energy for Be$_{2}$ was refined at 59824(2) cm$^{-1}$. Comparisons with high-level theoretical calculations indicate that the bonding in Be$_{2}$$^{+}$ is adequately described by MRDCI calculations with moderately large basis sets.
Description
Author Institution: Department of Chemistry, Emory University, Atlanta, GA; 30322