American Institute of Physics, The Journal of Chemical Physics, 1(139), p. 014301, 2013
DOI: 10.1063/1.4811671
Full text: Unavailable
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−.