International Journal of Quantum Chemistry
International Journal of Quantum Chemistry
4 years ago

Cover Image, Volume 117, Issue 23

Cover Image, Volume 117, Issue 23
Orbitals of fullerene derivatives are highly delocalized on the surface of the molecule, making the reaction sites unclear to determine. In such systems, reaction site selectivity present a similar difficulty of throwing a ring on-target, often yielding a mixture of isomeric products (left). 5,6-Open bridged fullerene derivative fulleroid, however, presents high regioselectivity at the bridgehead olefins because of its high strain (right). The origin of such high regioselectivity of Diels–Alder reactions is clarified by orbital and bond-strain analyses, transition state calculations, and activated strain model. In article e25438, Naohiko Ikuma explains that functionalization of fullerenes, like a quoits master, can easily be achieved by the use of fulleroid. (DOI: 10.1002/qua.25438)

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/qua.25280

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