Cage Shrinkage of Fullerene via a C2 Loss: from IPR C90(28)Cl24 to Nonclassical, Heptagon-Containing C88Cl22/24

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• 作者：Ilya N. Ioffe ; Olga N. Mazaleva ; Lev N. Sidorov ; Shangfeng Yang ; Tao Wei ; Erhard Kemnitz ; Sergey I. Troyanov
• 刊名：Inorganic Chemistry
• 出版年：2013
• 出版时间：December 16, 2013
• 年：2013
• 卷：52
• 期：24
• 页码：13821-13823
• 全文大小：245K
• 年卷期：v.52,no.24(December 16, 2013)
• ISSN：1520-510X

文摘

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.