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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 |
| Appears in Collections: | Journal/Magazine Article |
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| Mok_Simulated_Photodetachment_Spectra.pdf | 709.88 kB | Adobe PDF | View/Open |
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