Projects per year
Abstract / Description of output
The structures of the molecules methylamine-borane, MeH2N·BH3, and dimethylamine-borane, Me2HN·BH3, have been investigated by gas-phase electron diffraction (GED) and quantum chemical calculations. The crystal structures have also been determined for methylamine-, dimethylamine-, and trimethylamine-borane, MenH3-nN·BH3 (n = 1-3); these are noteworthy for what they reveal about the intermolecular interactions and, particularly, the N-H···H-B dihydrogen bonding in the cases where n = 1 or 2. Hence, structures are now known for all the members of the ammonia- and amine-borane series MenH3-nN·BH3 (n = 0-3) in both the gas and solid phases. The structural variations and energetics of formation of the gaseous adducts are discussed in relation to the basicity of the MenH3-nN fragment. The relative importance of secondary interactions in the solid adducts with n = 0-3 has been assessed by the semi-classical density sums (SCDS-PIXEL) approach.
FingerprintDive into the research topics of 'Structures and Aggregation of the Methylamine−Borane Molecules, MenH3−nN·BH3 (n = 1−3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations'. Together they form a unique fingerprint.
- 1 Finished
19/09/06 → 30/11/09