Capturing the Fused-Pentagon C74 by Stepwise Chlorination

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• 作者：Cong-li Gao ; Laura Abella ; Yuan-Zhi Tan ; Xin-Zhou Wu ; Antonio Rodríguez-Fortea ; Josep M. Poblet ; Su-Yuan Xie ; Rong-Bin Huang ; Lan-Sun Zheng
• 刊名：Inorganic Chemistry
• 出版年：2016
• 出版时间：July 18, 2016
• 年：2016
• 卷：55
• 期：14
• 页码：6861-6865
• 全文大小：367K
• 年卷期：0
• ISSN：1520-510X

文摘

As a bridge to connect medium-sized fullerenes, fused-pentagon C₇₄ is still missing heretofore. Of 14 246 possible isomers, the first fused-pentagon C₇₄ with the Fowler–Manolopoulos code of 14 049 was stabilized as C₇₄Cl₁₀ in the chlorine-involving carbon arc. The structure of C₇₄Cl₁₀ was identified by X-ray crystallography. The stabilization of pristine fused-pentagon C₇₄ by stepwise chlorination was clarified in both theoretical simulation with density functional theory calculations and experimental fragmentation with multistage mass spectrometry.