Abstract
A combination of experiment and theory indicate that when Me 3O + undergoes vertical Franck–Condon one-electron reduction, it does not produce a stable Me 3O species, but decomposes to give MeOMe and Me . Theoretical calculations at the CCSD(T)/aug-cc-pVDZ//B3LYP/6-311G(d) level of theory indicate that the symmetrical radical Me 3O is not a stable species. However, there is a stable doublet neutral corresponding to a van der Waals complex MeOMe⋯Me, a species which requires only 4.5 kJ mol −1 of excess energy to cause decomposition to MeOMe and Me .
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.
