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Evidence of Dihydrogen Bonding of a Chiral Amine–Borane Complex in Solution by VCD Spectroscopy
Authors:Dr. Christian Merten  Christopher J. Berger  Dr. Robert McDonald  Prof. Dr. Yunjie Xu
Affiliation:1. Lehrstuhl für Organische Chemie II, Ruhr‐Universit?t Bochum, 44801 Bochum (Germany);2. Department of Chemistry, University of Alberta, Edmonton, T6G2G2 (Canada)
Abstract:IR and vibrational circular dichroism (VCD) spectra of a chiral amine–borane in solution are investigated. By comparison of experimental and calculated spectra, unique VCD spectral signatures, which can be attributed to the formation of dihydrogen‐bonded dimers in solution, are identified for the first time. These VCD features are highly sensitive to the specific dihydrogen‐bonding topologies utilized by the chiral amine–borane subunits and thus provide direct structural information of these dihydrogen‐bonded species in solution. Differences in the dihydrogen binding arrangements in solution and in solid state are also revealed.
Keywords:boranes  chirality  dihydrogen bonds  IR spectroscopy  VCD
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