Abstract
To investigate the fluorine substitution effect on the rate for ester hydrolysis, the energies of the tetrahedral intermediates, as well as those of the reactants and products, were evaluated with ab initio calculations. The CBS-4 and CBS-Q energies suggested significant acceleration of the hydrolysis rate of fluoro-substituted esters: not only the trifluoromethyl group in the acyl portion of esters but also that in the alcohol portion will accelerate significantly the ester hydrolysis rate as compared to non-substituted counterparts. This implies that perfluoroalkyl esters resulting from the atmospheric degradation of hydrofluoroethers (HFEs) will be rather unstable even in almost neutral hydrolytic 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.
