The intramolecular blue-shifting C-H center dot center dot center dot F-C hydrogen bond: crystal structure of 4,4 '-bis(HCF2CF2CF2CF2CH2OCH2)-2,2 '-bpy MCl2 where M = Pt, Pd
摘要：
In the solid state, the two fluorous ponytails in [4,4′-bis(HCF2CF2CF2CF2CH2OCH2)-2,2′-bpy]MCl2(M = Pt2; Pd3) reveal one with atransoidalHCF2CF2CF2CF2CH2– chain on carbon backbone, similar to that with a normal fluorous alkyl group, and the other with acisoidalHCF2CF2CF2CF2CH2– chain on a carbon backbone, exhibiting an intramolecular blue-shifting C–HF–C hydrogen-bond. With the contraction of C–H bond, the increase in C–H stretch and the short HF distance, these two examples are among the blue-shifting hydrogen bonds as defined by Hobzaet al.The calculated C–H stretches using periodic density functional theory (DFT) are in good agreement with IR observations.
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DOI：
10.1039/b916051e
被引量：
年份：
2010
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