Abstract
The rotational pathways of the cone↔cone topomerisation for a series of dehydroxylated calix[4]arenes 2–5 have been calculated using the MM3 force field. The key intermediates and rate-limiting steps have been identified and characterised. The low barriers obtained for phenyl residue rotation suggest that the compounds should be partially flexible at low temperatures. The results are discussed in relation to available experimental data.
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 callMore From: Journal of the Chemical Society, Perkin Transactions 2
Disclaimer: 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.
