Experimental and ab Initio Study of the HO2‚CH3OH Complex: Thermodynamics and...

The core information for this publication's citation.: 
Christensen, L., M. Okumura, J. C. Hansen, S. P. Sander, and J. S. Francisco (2006), Experimental and ab Initio Study of the HO2‚CH3OH Complex: Thermodynamics and Kinetics of Formation†, J. Phys. Chem. A, 110, 6948-6959, doi:10.1021/jp056579a.
Abstract: 

10.1029/2001GL014525), the rate coefficient for the reaction of HO2 with the complex, HO2 + HO2‚CH3OH, is determined to be (2.1 ( 0.7) × 10-11 cm3 molecule-1 s-1. The results of the present work argue for a reinterpretation of the recent measurement of the HO2 self-reaction rate constant by Stone and Rowley (Phys. Chem. Chem. Phys. 2005, 7, 2156). Significant complex concentrations are present at the high methanol concentrations used in that work and lead to a nonlinear methanol dependence of the apparent rate constant. This nonlinearity introduces substantial uncertainty in the extrapolation to zero methanol.

PDF of Publication: 
Download from publisher's website.
Research Program: 
Tropospheric Composition Program (TCP)
Upper Atmosphere Research Program (UARP)