Abstract
The electronic structure and EPR properties of the model aromatic benzyl phenyl thioether radical cation [Ph-S-CH2-Ph]+ have been assessed and compared to those of the aliphatic analogues. In the most stable conformation spin and charge are almost equally distributed between the sulfur atom and the adjacent phenyl ring. In correspondence of favourable conformations spin and charge transfer from the aryl to the benzyl ring is predicted to occur thus suggesting the possibility of solvent effects on the reactivity distribution. Contrariwise to the aliphatic analogues, the major reaction mode in the chlorofluorocarbon matrix above 77K is the C–S bond splitting.
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.
