Abstract
In this work we analyze the effect of a single water molecule on the glyoxal + OH reaction, using quantum chemistry and computational kinetics calculations in a pseudo-second order mechanism, taking into account average atmospheric water concentrations and temperatures. We show that, although the formation of a hydrogen bonded glyoxal–water complex decreases the energy of the transition state barrier, the concentration of this complex is much too small to be relevant, and consequently a reaction rate enhancement by a single-water-molecule catalysis does not occur under tropospheric conditions.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
