The First Experimentally Confirmed Isolated Pentagon Rule (IPR) Isomers of Higher Fullerene C-98 Captured as Chlorides, C-98(248)Cl-22 and C-98(116)Cl-20

Wang Song; Yang Shangfeng; Kemnitz Erhard; Troyanov Sergey I.

首页> 外文期刊>Chemistry: A European journal >The First Experimentally Confirmed Isolated Pentagon Rule (IPR) Isomers of Higher Fullerene C-98 Captured as Chlorides, C-98(248)Cl-22 and C-98(116)Cl-20

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The First Experimentally Confirmed Isolated Pentagon Rule (IPR) Isomers of Higher Fullerene C-98 Captured as Chlorides, C-98(248)Cl-22 and C-98(116)Cl-20

机译：经实验验证的高级富勒烯C-98的第一个实验确认的孤立五角形规则（IPR）异构体被捕获为氯化物C-98（248）Cl-22和C-98（116）Cl-20

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High-temperature chlorination of pristine C-98 fullerene isomers separated by HPLC from the fullerene soot afforded crystals of C98Cl22 and C98Cl20. An X-ray structure elucidation revealed, respectively, the presence of carbon cages of the most stable C-2-C-98(248) and rather unstable C-1-C-98(116), which represent the first isolated pentagon rule (IPR) isomers of fullerene C-98 confirmed experimentally. The chlorination patterns of the chlorides are discussed in terms of the formation of isolated C=C bonds and aromatic substructures on the fullerene cages.

机译：通过HPLC从富勒烯烟灰分离出的原始C-98富勒烯异构体进行高温氯化，得到C98Cl22和C98Cl20晶体。 X射线分析表明，分别存在最稳定的C-2-C-98（248）和相当不稳定的C-1-C-98（116）的碳笼，这代表了第一个孤立的五边形规则实验证实富勒烯C-98的（IPR）异构体。根据在富勒烯笼上形成孤立的C = C键和芳族亚结构的方式讨论了氯化物的氯化方式。

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《Chemistry: A European journal》 |2016年第15期|共4页
作者
Wang Song; Yang Shangfeng; Kemnitz Erhard; Troyanov Sergey I.;
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C-98; chlorination; higher fullerenes; HPLC; structure elucidation;

机译：C-98;氯化;高级富勒烯;HPLC;结构解析;

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外文文献

1. The First Experimentally Confirmed Isolated Pentagon Rule (IPR) Isomers of Higher Fullerene C-98 Captured as Chlorides, C-98(248)Cl-22 and C-98(116)Cl-20 [J] . Wang Song, Yang Shangfeng, Kemnitz Erhard, Chemistry: A European journal . 2016,第15期

机译：经实验验证的高级富勒烯C-98的第一个实验确认的孤立五角形规则（IPR）异构体被捕获为氯化物C-98（248）Cl-22和C-98（116）Cl-20
2. Skeletal transformation of isolated pentagon rule (IPR) fullerene C _(82) into Non-IPR C _(82)Cl _(28) with notably low activation barriers [J] . Ioffe I.N., Mazaleva O.N., Sidorov L.N., Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2012,第21期

机译：分离的五边形规则（IPR）富勒烯C _（82）的骨架转化为非IPR C _（82）Cl _（28），且活化能极低
3. A facile route to the non-IPR fullerene Sc3N@C-68: Synthesis, spectroscopic characterization, and density functional theory computations (IPR =isolated pentagon rule) [J] . Yang SF, Kalbac M, Popov A, Chemistry: A European journal . 2006,第30期

机译：通往非IPR富勒烯Sc3N @ C-68的便捷途径：合成，光谱表征和密度泛函理论计算（IPR =隔离五边形规则）

The First Experimentally Confirmed Isolated Pentagon Rule (IPR) Isomers of Higher Fullerene C-98 Captured as Chlorides, C-98(248)Cl-22 and C-98(116)Cl-20

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