TY - JOUR
T1 - Spectroscopic investigation of Al 2N and its anion via negative ion photoelectron spectroscopy
AU - Meloni, Giovanni
AU - Sheehan, Sean M.
AU - Parsons, Bradley F.
AU - Neumark, Daniel M.
PY - 2006/3/16
Y1 - 2006/3/16
N2 - Negative ion photoelectron spectroscopy was used to elucidate the electronic and geometric structure of the gaseous Al 2N/Al 2N - molecules, using photodetachment wavelengths of 416 nm (2.977 eV), 355 nm (3.493 eV), and 266 nm (4.661 eV). Three electronic bands are observed and assigned to the X 2Σ + u ← X 1Σ + g, A 2∏ u ← X 1Σ + g, and B 2Σ + g ← X 1Σ + g electronic transitions, with the caveat that one or both excited states may be slightly bent. With the aid of density functional theory calculations and Franck-Condon spectral simulations, we determine the adiabatic electron affinity of Al 2N, 2.571 ± 0.008 eV, along with geometry changes upon photodetachment, vibrational frequencies, and excited-state term energies. Observation of excitation of the odd vibrational levels of the antisymmetric stretch (ν 3) suggests a breakdown of the Franck-Condon approximation, caused by the vibronic coupling between the X 2Σ + u and B 2Σ + g electronic states through the ν 3 mode.
AB - Negative ion photoelectron spectroscopy was used to elucidate the electronic and geometric structure of the gaseous Al 2N/Al 2N - molecules, using photodetachment wavelengths of 416 nm (2.977 eV), 355 nm (3.493 eV), and 266 nm (4.661 eV). Three electronic bands are observed and assigned to the X 2Σ + u ← X 1Σ + g, A 2∏ u ← X 1Σ + g, and B 2Σ + g ← X 1Σ + g electronic transitions, with the caveat that one or both excited states may be slightly bent. With the aid of density functional theory calculations and Franck-Condon spectral simulations, we determine the adiabatic electron affinity of Al 2N, 2.571 ± 0.008 eV, along with geometry changes upon photodetachment, vibrational frequencies, and excited-state term energies. Observation of excitation of the odd vibrational levels of the antisymmetric stretch (ν 3) suggests a breakdown of the Franck-Condon approximation, caused by the vibronic coupling between the X 2Σ + u and B 2Σ + g electronic states through the ν 3 mode.
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U2 - 10.1021/jp0562781
DO - 10.1021/jp0562781
M3 - Article
AN - SCOPUS:33645504576
VL - 110
SP - 3527
EP - 3532
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
SN - 1089-5639
IS - 10
ER -