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Published in

American Institute of Physics, The Journal of Chemical Physics, 1(139), p. 014301, 2013

DOI: 10.1063/1.4811671

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Simulated photodetachment spectra of AlH2-

Journal article published in 2013 by Daniel K. W. Mok ORCID, Edmond P. F. Lee, Foo-Tim Chau, John M. Dyke
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Data provided by SHERPA/RoMEO

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. Ganteför, B. Kiran, H. Schnöckel, B. Eichhorn, and K. Bowen, J. Chem. Phys. 138, 124303 (2013)]10.1063/1.4796200. However, our simulated spectra do not support the assignment of the reported experimental spectrum to AlH2−.