Preparation, crystallographic characterization, and theoretical study of C70(CF3)14статья
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Аннотация:Five C-70(CF3)(14) isomers have been isolated chromatographically from the mixture produced in the ampoule reaction between C-70 and CF3I at 390 degrees C. Molecular structures of four isomers have been determined in a single-crystal X-ray diffraction study. A quantum chemical survey of the theoretically possible isomers demonstrated that the structures obtained are energetically favorable but that there is probably no full thermodynamic control in the trifluoromethylation process.