Bingel-Hirsch reactions on non-IPR Gd3N@C2n (2n = 82 and 84).
The Bingel-Hirsch reactions on non-isolated pentagon rule (non-IPR) Gd(3)N@C(2n) (2n = 82, 84) are studied. Computational results show that the two metallofullerenes display similar reactivity according to their related topologies. Long C-C bonds with large pyramidalization angles lead to the most stable adducts, the [5,6] bonds in the adjacent pentagon pair being especially favored. The lesser regioselectivity observed for Gd(3)N@C(82) is probably due to the activation of some C-C bonds by means of the metal cluster.
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel·lí Domingo s/n, 43007 Tarragona, Spain.
Núria
N
Alegret
Manuel N
MN
Chaur
Eva
E
Santos
Antonio
A
Rodríguez-Fortea
Luis
L
Echegoyen
Josep M
JM
Poblet