Unusual H‐Bond Topology and Bifurcated H‐bonds in the 2‐Fluoroethanol Trimer

摘要: 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 strong heterochiral preference adopts open OH⋅⋅⋅OH while utilizing two types bifurcated H-bonds involving organic fluorine. This is in stark contrast to cyclic adopted by trimers water other simple alcohols. strengths different were analyzed quantum theory atoms molecules. study showcases remarkable example chirality-induced switch transient chiral fluoroalcohol. It provides important insight into topologies small fluoroalcohol aggregates, which are proposed play key role protein folding enantioselective reactions separations where fluoroalcohols serve as (co)solvent.