Photoelectron spectroscopy of so3- at 355 and 266 nm

S. Dobrin, B. H. Boo, L. S. Alconcel, R. E. Continetti

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11 Citations (Scopus)

Abstract

Photoelectron spectra of SO3- were recorded at 266 and 355 nm to study photodetachment of the SO3- anion (2A1) to the ground state of neutral SO3- (1A′1). A long vibrational progression in the 355 nm spectrum is attributed to excitation of the umbrella mode, v2, consistent with predictions that C3v symmetry SO3- yields D3h symmetry SO3 upon photodetachment. At 266 nm, photodissociation of SO3- to SO2 + O- was also observed. The geometry and normal-mode frequencies of SOi~ and SO) as well as the adiabatic electron affinity (AEA) and vertical detachment energy (VDE) of SO3- have also been calculated with ab initio (MP2 and CCSD(T)) and DFT methods. Using theoretical predictions and experimental data, Franck-Condon simulations of the photoelectron spectra were found to be in good agreement with experiment. The calculated AEA agreed well with experiment, but the VDE was found to be less accurate, presumably because of the large geometry change between anion and neutral.

Original languageEnglish
Pages (from-to)10695-10700
Number of pages6
JournalJournal of Physical Chemistry A
Volume104
Issue number46
DOIs
Publication statusPublished - 23 Nov 2000

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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