TY - JOUR
T1 - Experimental and theoretical study of the electronic spectrum of BeAl
AU - Merritt, Jeremy M.
AU - Bondybey, Vladimir E.
AU - Heaven, Michael C.
PY - 2008
Y1 - 2008
N2 - The electronic structure of BeAl was investigated by laser induced fluorescence and resonance enhanced multiphoton ionization spectroscopy. BeAl was formed by pulsed laser ablation of a Be/Al alloy in the presence of helium carrier gas, followed by a free jet expansion into vacuum. In agreement with recent ab initio studies, the molecule was found to have a 2Π 1/2 ground state. Transitions to two low lying electronic states, (2)2Π1/2(v′) ← X 2Π 1/2 (v″ = 0) and (1)2Δ(v′) ← X 2Π1/2 (v″ = 0,1), were observed and rotationally analyzed. An additional band system, identified as (4) 2Σ+(v′) ← X 2Π 1/2, was found in the 28 000-30 100 cm-1 energy range. This transition exhibited an unusual pattern of vibrational levels resulting from an avoided crossing with the (5)2Σ+ electronic state. New multi-reference configuration interaction calculations were carried out to facilitate the interpretation of the UV bands. An ionization energy of 48 124(80) cm-1 was determined for BeAl from photoionization efficiency (PIE) measurements. Fine structure in the PIE curve was attributed to resonances with Rydberg series correlating with vibrationally excited states of the BeAl+ ion. Analysis of this structure yielded a vibrational frequency of 240(20) cm-1 for the cation.
AB - The electronic structure of BeAl was investigated by laser induced fluorescence and resonance enhanced multiphoton ionization spectroscopy. BeAl was formed by pulsed laser ablation of a Be/Al alloy in the presence of helium carrier gas, followed by a free jet expansion into vacuum. In agreement with recent ab initio studies, the molecule was found to have a 2Π 1/2 ground state. Transitions to two low lying electronic states, (2)2Π1/2(v′) ← X 2Π 1/2 (v″ = 0) and (1)2Δ(v′) ← X 2Π1/2 (v″ = 0,1), were observed and rotationally analyzed. An additional band system, identified as (4) 2Σ+(v′) ← X 2Π 1/2, was found in the 28 000-30 100 cm-1 energy range. This transition exhibited an unusual pattern of vibrational levels resulting from an avoided crossing with the (5)2Σ+ electronic state. New multi-reference configuration interaction calculations were carried out to facilitate the interpretation of the UV bands. An ionization energy of 48 124(80) cm-1 was determined for BeAl from photoionization efficiency (PIE) measurements. Fine structure in the PIE curve was attributed to resonances with Rydberg series correlating with vibrationally excited states of the BeAl+ ion. Analysis of this structure yielded a vibrational frequency of 240(20) cm-1 for the cation.
UR - http://www.scopus.com/inward/record.url?scp=50849104259&partnerID=8YFLogxK
U2 - 10.1039/b806879h
DO - 10.1039/b806879h
M3 - Article
AN - SCOPUS:50849104259
SN - 1463-9076
VL - 10
SP - 5403
EP - 5411
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 35
ER -