Attachment of molecular hydrogen to an isolated boron cation: An infrared and ab initio study
Viktoras Dryza, Berwyck LJ Poad, Evan J Bieske
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | AMER CHEMICAL SOC | Published : 2008
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 A, which decreases by 0.04 A 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 B(+)-H2 and the rel..View full abstract
The authors are grateful to the Australian Research Council and the University of Melbourne for financial support.