title: Intermolecular Interactions of a Chiral Amine Borane Adduct Revealed by VCD Spectroscopy.
abstract: Amine boranes feature strong hydrogen bonding acceptor and donor moieties in close proximity, leading, for instance, to dihydrogen bonding driven self-aggregation. In this work, the infrared (IR) and vibrational circular dichroism (VCD) spectra of the bulky bis(α-phenylethyl)amine borane 1 in chloroform and acetonitrile solution are reported. By comparison with calculated spectra, the VCD spectral features observed in chloroform solution can clearly be associated with the presence of monomeric species. A shift of the conformational preferences occurs when changing the solvent to acetonitrile, which can only be deduced from the VCD spectral signatures but not from the IR spectrum. Using variable-temperature IR and VCD spectroscopy, the dihydrogen bonded dimeric species is characterized experimentally at -50 °C and theoretically by means of density functional theory calculations.
authors.affiliation: Organische Chemie 2, Ruhr-Universität Bochum , 44801 Bochum, Germany.
authors.forename: Tobias
authors.initials: T
authors.lastname: Osowski
authors.affiliation: Anorganische Chemie 1, Ruhr-Universität Bochum , 44801 Bochum, Germany.
authors.forename: Julia
authors.initials: J
authors.lastname: Golbek
authors.affiliation: Anorganische Chemie 1, Ruhr-Universität Bochum , 44801 Bochum, Germany.
authors.forename: Klaus
authors.initials: K
authors.lastname: Merz
authors.affiliation: Organische Chemie 2, Ruhr-Universität Bochum , 44801 Bochum, Germany.
authors.forename: Christian
authors.initials: C
authors.lastname: Merten