Abstract
We report calculations at the ab-initio level on the hydration equilibria of substituted acetates XCH 2CO 2 − + nH 2O ⇌ XCH 2CO 2 − with nH 2O up to n = 3. Results are also given for the hydration energies of the corresponding acetic acids. These results allow the calculation of the acidities of the acetic acids in the presence of a limited number of water molecules. Such results are compared to experimental figures in the gas phase and in aqueous solution. Results for three water molecules per acetate ion and one per acetic acid molecule approach those found for aqueous solution.
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.
