title: Evidence of dihydrogen bonding of a chiral amine-borane complex in solution by VCD spectroscopy.
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.
authors.affiliation: Lehrstuhl für Organische Chemie II, Ruhr-Universität Bochum, 44801 Bochum (Germany). christian.merten@ruhr-uni-bochum.de.
authors.forename: Christian
authors.initials: C
authors.lastname: Merten
authors.forename: Christopher J
authors.initials: CJ
authors.lastname: Berger
authors.forename: Robert
authors.initials: R
authors.lastname: McDonald
authors.forename: Yunjie
authors.initials: Y
authors.lastname: Xu
keywords: IR spectroscopy; VCD; boranes; chirality; dihydrogen bonds