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Crystal structures of fluorinated alkyl tosylates TsOCH2CF2CHFCF3 and TsOCH2(CF2)3CHF2 have been characterized by X-ray diffraction and quantum chemical calculations. The calculations have revealed the stabilization of head-to-tail conformation for TsOCH2CHFCF2CF3… Click to show full abstract
Crystal structures of fluorinated alkyl tosylates TsOCH2CF2CHFCF3 and TsOCH2(CF2)3CHF2 have been characterized by X-ray diffraction and quantum chemical calculations. The calculations have revealed the stabilization of head-to-tail conformation for TsOCH2CHFCF2CF3 due to intramolecular F・・・p and C–H・・・π interactions. Alternatively, for TsOCH2(CF2)3CHF2 these interactions cannot be responsible for the stabilization of head-to-tail conformation, thus the linear conformation is proved to be more stable.
Journal Title: Mendeleev Communications
Year Published: 2020
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