title: The ionization energy of Be2, and spectroscopic characterization of the (1)3Sigmau+, (2)3Pig, and (3)3Pig states.
abstract: Low lying electronic states of the beryllium dimer were investigated by laser induced fluorescence (LIF) and resonance enhanced multiphoton ionization (REMPI) techniques. Be(2) was formed by pulsed laser ablation of Be metal in the presence of helium carrier gas, followed by a free jet expansion into vacuum. Several previously unobserved states of the dimer were characterized. These included transitions of the triplet manifold (2)(3)Pi(g) <-- (1)(3)Sigma(u)+ and (3)(3)Pi(g) <-- (1)(3)Sigma(u)+, for which rotationally resolved bands were obtained. In addition, transitions to the v' = 10-18 vibrational levels of the A (1)Pi(u) state were recorded. Photoionization efficiency (PIE) measurements were used to determine an accurate ionization energy (IE) for Be(2) of 7.418(5) eV and the term energy for (1)(3)Sigma(u)+. Above the ionization threshold the PIE spectrum was found to be highly structured, consisting of overlapping Rydberg series that converged on excited vibrational levels of Be(2)+. Analysis of these series yielded a vibration frequency for the X(2)Sigma(u)+ state of 498(20) cm(-1). The bond dissociation energy for Be(2)+, deduced from the IE measurement, was 16 072(40) cm(-1). Multi-reference configuration interaction (MRCI) calculations were carried out for Be(2) and Be(2)+, yielding results that were in excellent agreement with the experimental observations.
authors.affiliation: Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, GA 30322, USA.
authors.forename: Jeremy M
authors.initials: JM
authors.lastname: Merritt
authors.forename: Alexey L
authors.initials: AL
authors.lastname: Kaledin
authors.forename: Vladimir E
authors.initials: VE
authors.lastname: Bondybey
authors.forename: Michael C
authors.initials: MC
authors.lastname: Heaven
mesh_terms: D001608:Beryllium / Q000737:chemistry*; D003198:Computer Simulation; D019281:Dimerization; D007834:Lasers; D036641:Microscopy, Fluorescence, Multiphoton / Q000379:methods; D008962:Models, Theoretical; D013050:Spectrometry, Fluorescence / Q000379:methods; D013057:Spectrum Analysis
chemical_list: D001608:Beryllium