The Infrared Spectrum of Al2H6 in Solid Hydrogen
@article{Andrews2003TheIS, title={The Infrared Spectrum of Al2H6 in Solid Hydrogen}, author={Lester S Andrews and Xuefeng Wang}, journal={Science}, year={2003}, volume={299}, pages={2049 - 2052} }
Although many volatile binary boron hydride compounds are known, binary aluminum hydride chemistry is limited to the polymeric (AlH3)n solid. The reaction of laser-ablated aluminum atoms and pure H2 during codeposition at 3.5 kelvin, followed by ultraviolet irradiation and annealing to 6.5 kelvin, allows dimerization of the intermediate AlH3 photolysis product to form Al2H6. The Al2H6molecule is identified by seven new infrared absorptions that are accurately predicted by quantum chemical…
80 Citations
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3
H
n
−
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References
SHOWING 1-10 OF 31 REFERENCES
Reactions of pulsed-laser ablated aluminum atoms with hydrogen: infrared spectra of aluminum hydride (AlH, AlH2, AlH3, and Al2H2) species
- Chemistry, Physics
- 1993
Pulsed laser evaporated Al atoms were reacted with H 2 in excess argon during condensation at 10 K. Matrix infrared spectra, deuterium substitution, and ab initio calculations identified AlH, AlH 2 ,…
Gallane: synthesis, physical and chemical properties, and structure of the gaseous molecule Ga2H6 as determined by electron diffraction
- Chemistry
- 1991
The elusive binary hydride of gallium, [GaH 3 ] n , has at last been synthesized in rigorously conditioned all-glass apparatus by the reaction between monochlorogallane, [H 2 GaCl] 2 , and lithium…
Infrared spectra of the unknown dialane (Al2H6) and recently observed digallane (Ga2H6) molecules
- Chemistry
- 1989
Preparation and properties of aluminum hydride
- Chemistry, Materials Science
- 1976
Six crystalline phases of nonsolvated aluminum hydride were prepared by desolvation of AlH/sub 3/ etherate in the presence of small amounts of LiAlH/sub 4/. The most stable phase, ..cap…
The vibrational spectrum of isolated AlH4−: An infrared matrix isolation and ab initio study
- Chemistry
- 1994
An aluminium tetrahydride species has been formed after electronic excitation at about 5 eV of AlH2(H2) van der Waals aggregates isolated in argon matrices. Isotopic studies characterized the five…
The Absorption Spectrum of Diborane
- Physics
- 1948
The absorption spectrum of diborane has been investigated in the infra‐red from 1–25μ and in the vacuum ultraviolet down to 1000A. The rotational structure obtained for certain of the infra‐red bands…
Chromium Hydrides and Dihydrogen Complexes in Solid Neon, Argon, and Hydrogen: Matrix Infrared Spectra and Quantum Chemical Calculations
- Chemistry
- 2003
Reactions of chromium atoms with molecular hydrogen are investigated through matrix-isolation infrared spectroscopy of products and complexes. Laser-ablated chromium atoms react with molecular…
DESORPTION OF ALUMINUM HYDRIDE FROM HYDROGEN ADSORBED AL(111) SURFACE
- Physics, Chemistry
- 1991
Hydrogen-adsorbed Al(111) single crystal surface was studied by thermal desorption (TD) technique under ultrahigh vacuum. The mass spectra of the desorbing species showed signals corresponding to…
The known and unknown group 13 hydride molecules M2H6: Diborane(6), dialane(6), and digallane(6)
- Chemistry
- 1992
Molecular structures, harmonic vibrational frequencies, and infrared intensities for diborane B2H6, dialane Al2H6, and digallane Ga2H6 have been determined using high level ab initio quantum…