Infrared Spectra of HOCO+ and of the Complex of H2 With CO2- Trapped in Solid Neon

Published

November 1, 2003

Author(s)

Marilyn E. Jacox, Warren E. Thompson

Abstract

When a Ne:H₂:CO₂ =800:10:1 mixture is codeposited at 4.3 K with neon atoms that have been excited in a microwave discharge, the infrared spectrum of the resulting solid deposit includes not only absorptions characteristic of experiments from which H₂ is absent but also numerous product absorptions which are common to similar experiments on Ne: HCOOH samples. The carriers of these latter absorptions include HCOOH itself, as well as trans-HOCO, HCOOH⁺, and HCO₂^-. Detailed isotopic substitution studies confirm the infrared identifications of HCOOH⁺ and HCO₂^- and permit the identification of two previously unassigned vibrational fundamentals each of HOCO⁺ and DOCO⁺. Density functional calculations for the latter species support the proposed assignments. Evidence is presented for the stabilization of the H₂ CO₂^- anion complex, in which the H₂ moiety becomes infrared-active. The processes which result in the stabilization of these products are considered.

Citation

Journal of Chemical Physics

Volume

119

Issue

No. 20

Pub Type

Journals

Keywords

complex, density functional calculations, H₂CO₂, HCO₂, HCOOH⁺, HOCO⁺, infrared spectrum, neon matrix

Citation

Jacox, M. and Thompson, W. (2003), Infrared Spectra of HOCO⁺ and of the Complex of H₂ With CO₂^- Trapped in Solid Neon, Journal of Chemical Physics (Accessed April 19, 2024)