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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
Attachment Of Molecular Hydrogen To An Isolated Boron Cation: An Infrared And Ab Initio Study, Viktoras Dryza, Berwyck L. J Poad, Evan J. Bieske
Berwyck L. J. Poad
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 more than for other dihydrogen complexes with comparable binding energies. Properties of …
Attaching Molecular Hydrogen To Metal Cations: Perspectives From Gas-Phase Infrared Spectroscopy, Viktoras Dryza, Berwyck Poad, Evan Bieske
Attaching Molecular Hydrogen To Metal Cations: Perspectives From Gas-Phase Infrared Spectroscopy, Viktoras Dryza, Berwyck Poad, Evan Bieske
Berwyck L. J. Poad
In this perspective article we describe recent infrared spectroscopic investigations of mass-selected M+–H2 and M+–D2 complexes in the gas-phase, with targets that include Li+–H2, B+–H2, Na+–H2, Mg+–H2, Al+–H2, Cr+–D2, Mn+–H2, Zn+–D2 and Ag+–H2. Interactions between molecular hydrogen and metal cations play a key role in several contexts, including in the storage of molecular hydrogen in zeolites, metal–organic frameworks, and …