Prato and Bingel-Hirsch cycloaddition to heptagon-containing LaSc2N@Cs(hept)-C80.: mportance of pentalene units

Qingming Deng, Alexey A. Popov

Research output: Contribution to journalJournal articleResearchpeer-review


Possible cycloaddition sites in the heptagon-containing fullerene LaSc2N@Cs(hept)-C80 are studied computationally. Thermodynamically controlled Prato addition is predicted to proceed regioselectively across the pentagon/pentagon (p/p) edges, whereas in the kinetically-controlled Bingel-Hirsch reaction the most reactive are carbons next to the p/p edge.
Original languageEnglish
JournalChemical Communications
Issue number26
Pages (from-to)5637-5640
Number of pages4
Publication statusPublished - 2015
Externally publishedYes

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