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Five Isolated Pentagon Rule Isomers of Higher Fullerene C<sub>94</sub> Captured as Chlorides and CF<sub>3</sub> Derivatives: C<sub>94</sub>(34)Cl<sub>14</sub>, C<sub>94</sub>(61)Cl<sub>20</sub>, C<sub>94</sub>(133)Cl<sub>22</sub>, C<sub>94</sub>(42)(CF<sub>3</sub>)<sub>16</sub>, and C<sub>94</sub>(43)(CF<sub>3</sub>)<sub>18</sub>

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High-temperature chlorination and trifluoromethylation of C94 isomeric mixtures followed by single-crystal X-ray diffraction with the use of synchrotron radiation resulted in the structure determination of C94(34)­Cl14, C94(61)­Cl20, C94(133)­Cl22, C94(42)­(CF3)16, and C94(43)­(CF3)18. Their addition patterns are stabilized by the formation of isolated CC bonds and aromatic substructures. Four cage isomers of C94 (nos. 34, 42, 43, and 133) have been experimentally confirmed for the first time.

创建时间:
2016-02-22
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