Spectroscopic investigation of Al2N and its anion via negative ion photoelectron spectroscopy

The Journal of Physical Chemistry. a
Giovanni MeloniDaniel M Neumark

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.

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Citations

Apr 10, 2009·The Journal of Chemical Physics·Lei-Ming WangAlexander I Boldyrev
Apr 25, 2009·The Journal of Chemical Physics·Apostolos Kalemos, Aristides Mavridis
Oct 4, 2006·The Journal of Chemical Physics·Boris B AverkievLai-Sheng Wang
Feb 1, 2008·The Journal of Physical Chemistry. a·Boris B AverkievLai-Sheng Wang
Apr 28, 2007·The Journal of Physical Chemistry. a·Apostolos Kalemos, Aristides Mavridis
Jan 5, 2007·The Journal of Physical Chemistry. a·Boris B AverkievLai-Sheng Wang
Oct 5, 2007·The Journal of Physical Chemistry. a·Li-Ming YangChia-Chung Sun

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