Abstract
AbstractBy means of density functional calculations, we studied the performance of 2 fullerene receptors that contain 3 corannulene or triphenylene pincers. For the first time, we found a receptor that has a small tendency to form intramolecular stacks between the 3 corannulene pincers. After comparing their ability to trap fullerenes, with that of buckycatcher, buckycatcher‐II, and the Venus flytrap, we conclude that a record‐breaking association constant is expected for the receptor with 3 corannulene pincers. Although triphenylene is less effective than the corannulene units in forming inclusion complexes with C60, the triphenylene‐based host is also expected to have a high association constant. Finally, we discuss the theoretical problems found in reproducing the experimental free energy changes in solution for buckycatcher, buckycatcher‐II, and the Venus flytrap.
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.
