Cage Shrinkage of Fullerene via a C<sub>2</sub> Loss: from IPR C<sub>90</sub>(28)Cl<sub>24</sub> to Nonclassical, Heptagon-Containing C<sub>88</sub>Cl<sub>22/24</sub>
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A new case of chlorination-promoted fullerene cage shrinkage is reported. Chlorination of C90 (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 C2 abstraction from the C90 cage is suggested on the basis of density functional theory calculations.
创建时间：
2016-02-18
