We have previously proposed that Carbonic Acid H<sub>2</sub>CO<sub>3</sub> molecule (CA) is an important protonating agent in both biological and environmental contexts [1,2,3]. In the present talk ---after a brief introduction on the previously published and simpler ‘on contact’ direct proton transfer (PT) from CA to a base in aqueous solution [1,2] --- we will focus on our unpublished results on the key molecular level aspects of the more complex ultrafast CA-base PT reaction when the acid and base are initially separated by a water molecule: a proton relay mechanism with important electronic charge transfer involving all three molecules, and appropriate surrounding water solvent rearrangements.

Proton transfer by carbonic acid: Charge transfer and proton relay

256th National Meeting (2018)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.