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Evidence of Dihydrogen Bonding of a Chiral Amine–Borane Complex in Solution by VCD Spectroscopy
Author(s) -
Merten Christian,
Berger Christopher J.,
McDonald Robert,
Xu Yunjie
Publication year - 2014
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201403690
Subject(s) - borane , amine gas treating , chemistry , spectroscopy , crystallography , vibrational circular dichroism , infrared spectroscopy , computational chemistry , photochemistry , circular dichroism , organic chemistry , catalysis , physics , quantum mechanics
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.