Abstract
We explain the presence of the Cage Critical Point within the individual cyclooctatetraene ring as a result of the overlapping of p-type orbitals belonging to oppositely placed formally double CC bonds. This unusual ring topology is enabled by spatial arrangement of the double CC bonds in rigid skeleton of the COT ring in its natural tub-shaped conformation. Since the overlapping of the p-type orbitals may suggest some additional ‘ through the space’ π-electron delocalization, this interaction is investigated in detail. Our results show that this interaction should be considered as a steric one and no extra stabilization from ‘ through the space’ delocalization can be considered.
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.
