Simulated photodetachment spectra of AlH2-

Kam Wah Mok, Edmond P.F. Lee, Foo Tim Chau, John M. Dyke

Research output: Journal article publicationJournal articleAcademic researchpeer-review

5 Citations (Scopus)

Abstract

We have carried out high-level ab initio calculations on AlH2and its anion, as well as Franck-Condon factor calculations, which include anharmonicity and Duschinsky rotation, to simulate the photode-tachment 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)]. However, our simulated spectra do not support the assignment of the reported experimental spectrum to AlH2-.
Original languageEnglish
Article number014301
JournalJournal of Chemical Physics
Volume139
Issue number1
DOIs
Publication statusPublished - 7 Jul 2013

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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