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• W2105666141 abstract "Negative ion photoelectron spectroscopy was used to elucidate the electronic and geometric structure of the gaseous Al2N/Al2N- 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 X2Sigma(u)+ <-- X1Sigma(g)+, A2Pi(u) <-- X1Sigma(g)+, and B2Sigma(g)+ <-- X1Sigma(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 Al2N, 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 (nu3) suggests a breakdown of the Franck-Condon approximation, caused by the vibronic coupling between the X2Sigma(u)+ and B2Sigma(g)+ electronic states through the nu3 mode." @default.
• W2105666141 created "2016-06-24" @default.
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• W2105666141 date "2006-02-11" @default.
• W2105666141 modified "2023-10-05" @default.
• W2105666141 title "Spectroscopic Investigation of Al₂N and Its Anion via Negative Ion Photoelectron Spectroscopy" @default.
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• W2105666141 doi "https://doi.org/10.1021/jp0562781" @default.
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• W2105666141 hasPublicationYear "2006" @default.
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