Experimental and Ab Initio Study of the Infrared Spectra of Ionic Species Derived from SF6 and SF4 and Trapped in Solid Neon

Published

June 1, 1998

Author(s)

C Lugez, Marilyn E. Jacox, R A. King, H F. Schaefer

Abstract

When a Ne:SF6 mixture is subjected to Penning ionization and/or photoionization by neon atoms in their first excited states, between 16.6 eV and 16.85 eV, and the products are rapidly frozen at approximately 5 K, the infrared spectrum of the resulting deposit includes prominent absorptions of SF4 and SF5. Other prominent product absorptions are assigned to SF5 + and SF5-, and one absorption is tentatively assigned to SF6-. Similar experiments on a Ne:SF4 sample yield SF4+, SF3+, and SF4-, as well as some F2SO+ and F2 SO, derived from F2SO impurity. The spectroscopic identifications of the SFn cations and anions are aided by the results of ab initio calculations. Because the vertical electron detachment energy of SF5- is exceptionally high, this species is stable on unfiltered mercury-arc irradiation of the deposit.

Citation

Journal of Chemical Physics

Volume

108

Issue

No. 23

Pub Type

Journals

Keywords

ab initio calculations, electron affinity, F2SO+, infrared spectrum, neon matrix, photodetachment, photoionization, SFn+, SFn-

Citation

Lugez, C. , Jacox, M. , King, R. and Schaefer, H. (1998), Experimental and Ab Initio Study of the Infrared Spectra of Ionic Species Derived from SF6 and SF4 and Trapped in Solid Neon, Journal of Chemical Physics (Accessed December 14, 2024)