Abstract
The MNDO method with optimization of geometric parameters has been used to study the fragments of the potential energy surface for the acylium cation MeC+, radical dication MeCO2+., and the (1 ∶n) complexes of general formula MeCOCl ·nAlCl3 (wheren=1, 2, 3). The stability of these complexes with respect to certain dissociation mechanisms has been studied. The calculations show that the the hitherto unknown RCOCl · 2AlCl3 and RCOCl · 3AlCl3 can actually exist. Moreover, it has been shown that there can be complexes where the charge on the strongly electrophilic carbon atom is greater than that of the carbon in the acylium cation. The result of the study provided an explanation for the superacidity of the RCOX · 2AlX3 systems in reactions with saturated hydrocarbons.
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.
