Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/17236
Title: Simulated photodetachment spectra of AIH(2)(-)
Authors: Mok, DKW 
Lee, EPF
Chau, FT
Dyke, JM
Issue Date: 2013
Source: Journal of chemical physics, 2013, v. 139, no. 1, 14301, p. 014301-1-014301-5
Abstract: We have carried out high-level ab initio calculations on AlH2 and its anion, as well as Franck-Condon factor calculations, which include anharmonicity and Duschinsky rotation, to simulate the photodetachment spectrum of AlH2-, with the aim of assigning the very recently reported photodetachment spectrum of AlH2-[X. Zhang, H. Wang, E. Collins, A. Lim, G. Gantefor, B. Kiran, H. Schnockel, B. Eichhorn, and K. Bowen, J. Chem. Phys. 138, 124303 (2013)]. However, our simulated spectra do not support the assignment of the reported experimental spectrum to AlH2-.
Publisher: American Institute of Physics
Journal: Journal of chemical physics 
ISSN: 0021-9606
EISSN: 1089-7690
DOI: 10.1063/1.4811671
Rights: © 2013 AIP Publishing LLC.
This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in D. K. W. Mok et al., J. Chem. Phys. 139, 014301 (2013) and may be found at https://dx.doi.org/10.1063/1.4811671
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