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Full-Text Articles in Social and Behavioral Sciences
Infrared Spectra Of The Li +_(H 2)N(N=1-3) Cation Complexes, C Emmeluth, B L. J Poad, C D. Thompson, G H. Weddle, E J. Bieske
Infrared Spectra Of The Li +_(H 2)N(N=1-3) Cation Complexes, C Emmeluth, B L. J Poad, C D. Thompson, G H. Weddle, E J. Bieske
Berwyck L. J. Poad
The Li+–(H2)n n = 1–3 complexes are investigated through infrared spectra recorded in the H–H stretch region (3980–4120 cm−1) and through ab initio calculations at the MP2∕aug-cc-pVQZ level. The rotationally resolved H–H stretch band of Li+–H2 is centered at 4053.4 cm−1 [a −108 cm−1 shift from the Q1(0) transition of H2]. The spectrum exhibits rotational substructure consistent with the complex possessing a T-shaped equilibrium geometry, with the Li+ ion attached to a slightly perturbed H2 molecule. Around 100 rovibrational transitions belonging to parallel Ka = 0‐0, 1-1, 2-2, and 3-3 subbands are observed. The Ka = 0‐0 and 1-1 transitions …
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 …
Rotationally Resolved Infrared Spectrum Of The Li+_D2 Cation Complex, C D. Thompson, C Emmeluth, B L. J Poad, G H. Weddle, E J. Bieske
Rotationally Resolved Infrared Spectrum Of The Li+_D2 Cation Complex, C D. Thompson, C Emmeluth, B L. J Poad, G H. Weddle, E J. Bieske
Berwyck L. J. Poad
The infrared spectrum of mass selected Li +-D 2 cations is recorded in the D-D stretch region (2860-2950 cm -1) in a tandem mass spectrometer by monitoring Li + photofragments. The D-D stretch vibration of Li +-D 2 is shifted by -79 cm -1 from that of the free D 2 molecule indicating that the vibrational excitation of the D 2 subunit strengthens the effective Li +-D 2 intermolecular interaction. Around 100 rovibrational transitions, belonging to parallel K a=0-0, 1-1, and 2-2 subbands, are fitted to a Watson A-reduced Hamiltonian to yield effective molecular parameters. The infrared spectrum shows that …
Mixing Laser Spectroscopy And Mass Spectrometry- Infrared Spectra Of Metal Cation- Hydrogen Complexes, Vikoras Dryza, Berwyck Poad, Evan Bieske
Mixing Laser Spectroscopy And Mass Spectrometry- Infrared Spectra Of Metal Cation- Hydrogen Complexes, Vikoras Dryza, Berwyck Poad, Evan Bieske
Berwyck L. J. Poad
We describe recent experiments in which mass spectrometry and laser spectroscopy are combined to characterize Li(+)-H(2), Na(+)-H(2), B(+)-H(2), and Al(+)-H(2) complexes in the gas-phase. The infrared spectra, which feature full resolution of rotational sub-structure, are recorded by monitoring M(+) photo fragments as the infrared wavelength is scanned. The spectra deliver detailed information on the way in which a hydrogen molecule is attached to a metal cation including the intermolecular separation, the force constant for the intermolecular bond and the H-H stretching frequency. The complexes all possess T-shaped equilibrium geometries and display a clear correlation between the length and force constant …