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- W4245331452 abstract "By using a combination of rotational spectroscopy and ab initio calculations, an unusual H-bond topology was revealed for the 2-fluoroethanol trimer. The trimer exhibits a strong heterochiral preference and adopts an open OH⋅⋅⋅OH H-bond topology while utilizing two types of bifurcated H-bonds involving organic fluorine. This is in stark contrast to the cyclic OH⋅⋅⋅OH H-bond topology adopted by trimers of water and other simple alcohols. The strengths of different H-bonds in the trimer were analyzed by using the quantum theory of atoms in molecules. The study showcases a remarkable example of a chirality-induced switch in H-bond topology in a simple transient chiral fluoroalcohol. It provides important insight into the H-bond topologies of small fluoroalcohol aggregates, which are proposed to play a key role in protein folding and in enantioselective reactions and separations where fluoroalcohols serve as a (co)solvent." @default.
- W4245331452 created "2022-05-12" @default.
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- W4245331452 date "2015-08-14" @default.
- W4245331452 modified "2023-09-28" @default.
- W4245331452 title "Unusual H-Bond Topology and Bifurcated H-bonds in the 2-Fluoroethanol Trimer" @default.
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- W4245331452 doi "https://doi.org/10.1002/ange.201505934" @default.
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