# ELECTRONIC SPECTROSCOPY OF $Be_{2}$: EXPERIMENTAL AND THEORETICAL RESULTS

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 Title: ELECTRONIC SPECTROSCOPY OF $Be_{2}$: EXPERIMENTAL AND THEORETICAL RESULTS Creators: Kaledin, L. A.; Kaledin, A. L.; Heaven, M. C.; Bondybey, V. E. Issue Date: 1998 Publisher: Ohio State University Abstract: Low-lying electronic states of $Be_{2}$ have been examined using laser excitation techniques. The dimer was formed by pulsed laser ablating Be into a free-jet expansion. Dimer formation was enhanced by liquid nitrogen cooling of the nozzle assembly. Dispersed fluorescence spectra were recorded following excitation of various vibrational levels of the $B^{1}\Sigma^{+}_{u}$ state. These spectra revealed bands of the previously unobserved $B^{1}\Sigma^{+}_{u}\longrightarrow A' \Pi_{g}$ transition. The term energy ($T_{0}=13,942\pm 20 cm^{-1}$) and vibrational interval $\Delta G_{1/2} =717\pm 20cm^{-1}$) for the $A'$ state were determined for the first time. Potential energy curves and electronic transition moments for $Be_{2}$ were calculated using EOM coupled cluster and MRS-DCI levels of theory with a (12s6p3d2flg)/[5s4p3d2flg] basis set. The properties of low-lying singlet, triplet, and quintet states were predicted. The MRSDCI results were found to be in excellent agreement with experimental $observations^{a}$ Description: $^{a}$ V.E. Bondybey, Chem. Phys. Lett. 109, 436 (1984) Author Institution: Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University; Institut fur Physikalische, und Theoretische Chemie der TU Munchen URI: http://hdl.handle.net/1811/18749 Other Identifiers: 1998-FB-06