Abstract
The relative gas-phase acidities of all OH groups of 7-ethyl-2,3,5,6,8-pentahydroxy-1,4-naphthoquinone (echinochrome A, 1) were evaluated by the B3LYP/6-311G(d) and B3LYP/6-311G(d,p) methods. Calculations predict that gB-OH groups at the C(2) and C(6) atoms are the most acidic in molecule 1and their acidity is higher than that of o-nitrophenol. Conformational analysis of undissociated monosodium salts of 1and their radicals was performed. It was shown that gas-phase quenching reactions of the hydroperoxyl radical by mono-sodium salts of 1are exothermic.
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.
