X-ray crystallographic proof of the isomer D2-C84(5) as trifluoromethylated and chlorinated derivatives, C84(CF3)16, C84Cl20, and C84Cl32 |
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| Authors: | Yang Shangfeng Chen Chuanbao Wei Tao Tamm Nadezhda B Kemnitz Erhard Troyanov Sergey I |
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| Affiliation: | Hefei National Laboratory for Physical Sciences at Microscale, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026, PR China. sfyang@ustc.edu.cn |
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| Abstract: | Minor isomer comes forward: Minor isomer C(84)(5) has been captured by high temperature trifluoromethylation with CF(3)I and chlorination with VCl(4). The compounds C(84)(CF(3))(16), C(84)Cl(20), and C(84)(5)Cl(32) were investigated by X-ray crystallography providing the first direct proof of the cage connectivity of D(2)-C(84)(5). The D(2)-C(84)(5)Cl(32) molecule (see figure; C grey, Cl green) contains two flattened, pyrene-like substructures on opposite poles of the cage resulting in its drum-like shape. |
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