화학공학소재연구정보센터
Inorganic Chemistry, Vol.52, No.24, 13821-13823, 2013
Cage Shrinkage of Fullerene via a C-2 Loss: from IPR C-90(28)Cl-24 to Nonclassical, Heptagon-Containing C88Cl22/24
A new case of chlorination-promoted fullerene cage shrinkage is reported. Chlorination of C-90 (isolated pentagon rule isomer no. 28) with VCl4 afforded C88Cl22 with a nonclassic carbon cage (NCC) containing 1 heptagon and 13 pentagons including 2 fused pairs flanking the heptagon. The pathway of C-2 abstraction from the C-90 cage is suggested on the basis of density functional theory calculations.