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



Marilyn E. Jacox, Warren E. Thompson


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.
Journal of Chemical Physics
No. 20


complex, density functional calculations, H<sub>2</sub>CO<sub>2</sub>, HCO<sub>2</sub>, HCOOH<sup>+</sup>, HOCO<sup>+</sup>, infrared spectrum, neon matrix


Jacox, M. and Thompson, W. (2003), Infrared Spectra of HOCO<sup>+</sup> and of the Complex of H<sub>2</sub> With CO<sub>2</sub><sup>-</sup> Trapped in Solid Neon, Journal of Chemical Physics (Accessed April 17, 2024)
Created November 1, 2003, Updated February 17, 2017