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Attachment Of Molecular Hydrogen To An Isolated Boron Cation: An Infrared And Ab Initio Study, Viktoras Dryza, Berwyck L. J Poad, Evan J. Bieske

Faculty of Science - Papers (Archive)

Structural properties of the B⁺−H₂ electrostatic complex are investigated through its rotationally resolved infrared spectrum in the H−H stretch region (3905−3975 cm⁻¹). The spectrum, which was obtained by monitoring B⁺ photofragments while the IR wavelength was scanned, is consistent with the complex having a T-shaped structure and a vibrationally averaged intermolecular separation of 2.26 Å, which decreases by 0.04 Å when the H₂ subunit is vibrationally excited. The H−H stretch transition of B⁺−H₂ is red-shifted by 220.6 ± 1.5 cm⁻¹ from that of the free H₂ molecule, much …