The Infrared Spectrum of Al2H6 in Solid Hydrogen

  title={The Infrared Spectrum of Al2H6 in Solid Hydrogen},
  author={Lester S Andrews and Xuefeng Wang},
  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… Expand
Unexpected Stability of Al4H6: A Borane Analog?
A combined anion photoelectron and density functional theory computational study of the Al4H –6 anion and its corresponding neutral, Al4h6, showed that Al4 H6 can be understood in terms of the Wade-Mingos rules for electron counting, suggesting that it may be a borane analog. Expand
Mercury dihydride forms a covalent molecular solid.
Atomic mercury in solid hydrogen reacts when subjected to mercury arc irradiation to form the linear HgH2 molecule with strong IR absorptions at 1902 and 1905, characterized by strong IR absorption at 1802, 739 and 673 cm(-1) and by decomposition at 150-170 K. Expand
Photoelectron spectroscopy of boron aluminum hydride cluster anions.
Boron aluminum hydride clusters are studied through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations to reveal significant geometrical changes upon substitution of aluminum atoms by boron atoms. Expand
Alanate anion, AlH4(-): photoelectron spectrum and computations.
The alanate anion, AlH4(-), was generated in the gas phase using a pulsed arc cluster ionization source and its photoelectron spectrum was measured with 193 nm photons, resulting in a broad feature, spanning electron binding energies from 3.8 eV to over 5.3 eV. Expand
Orbital landscapes for reductive 2e− activation of dihydrogen molecule
  • W. Grochala
  • Medicine, Chemistry
  • Journal of molecular modeling
  • 2007
The postulation is made that binuclear divalent titanium (TiII) and mononuclear silicon (SiII) species might serve as active sites for the H2 attachment reaction for hydridoalanates doped with Ti salts and hydridoborates doping with SiO2, respectively. Expand
Matrix Infrared Spectra and Quantum Chemical Calculations of Ti, Zr, and Hf Dihydride Phosphinidene and Arsinidene Molecules.
Comparison of calculated agostic and terminal bond lengths and covalent bond radii for HP═TiH2 with computed bond lengths for Al2H6 finds that these strong agostic Ti-H bonds are 18% longer than single covalENT bonds, and the bridged bonds in dialane are 10% shorter than the terminal Al-H single bonds, which show that these agostic bonds can also be considered as bridged Bonds. Expand
A Combined Theoretical and Photoelectron Spectroscopy Study of Al 3 H n − ( n =1–9) clusters
Combined photoelectron spectroscopic experiments and computational studies have been performed on Al3Hn (n=1–9) clusters. Three modes of hydrogen bonding to the Al3 moiety have been observed:Expand
Reactions of molybdenum and tungsten atoms with nitrous oxide in excess argon: a combined matrix infrared spectroscopic and theoretical study.
Overall agreement between the experimental and calculated vibrational frequencies, relative absorption intensities, and isotopic shifts supports the identification of these species from the matrix infrared spectra. Expand
Thorium and Uranium Hydride Phosphorus and Arsenic Bearing Molecules with Single and Double Actinide-Pnictogen and Bridged Agostic Hydrogen Bonds.
Electronic structure calculations at the coupled cluster CCSD(T) for Th and density functional theory calculations for U as well as their proximity to other actinide hydride absorptions support assignments of these bands to the simplest molecules HP═ThH2, HP═UH 2, and PH2-UH. Expand
Reaction of gallium dimer with H2: a theoretical study of the process mechanism
Abstract The reaction of Ga 2 with H 2 to form the most stable singlet Ga(μ-H) 2 Ga isomer 1 observed to occur spontaneously in solid noble gas matrices by Downs has been investigated theoreticallyExpand


Reactions of pulsed-laser ablated aluminum atoms with hydrogen: infrared spectra of aluminum hydride (AlH, AlH2, AlH3, and Al2H2) species
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 ,Expand
Gallane: synthesis, physical and chemical properties, and structure of the gaseous molecule Ga2H6 as determined by electron diffraction
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 lithiumExpand
Infrared spectra of the unknown dialane (Al2H6) and recently observed digallane (Ga2H6) molecules
Abstract Equilibrium molecular structures and infrared spectra of dialane and digallane were obtained from all-electron ab initio molecular orbital calculations using basis sets of triple-zeta plusExpand
Preparation and properties of aluminum hydride
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, ..capExpand
The vibrational spectrum of isolated AlH4−: An infrared matrix isolation and ab initio study
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 fiveExpand
The Absorption Spectrum of Diborane
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 bandsExpand
Aluminium, gallium and indium trihydrides. an IR matrix isolation and ab initio study
Abstract Aluminium, gallium and indium trihydrides have been synthesized in solid argon by two different ways. All monoalane, gallane and indane species can be produced by direct condensation of H orExpand
Chromium Hydrides and Dihydrogen Complexes in Solid Neon, Argon, and Hydrogen: Matrix Infrared Spectra and Quantum Chemical Calculations
Reactions of chromium atoms with molecular hydrogen are investigated through matrix-isolation infrared spectroscopy of products and complexes. Laser-ablated chromium atoms react with molecularExpand
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 toExpand
The known and unknown group 13 hydride molecules M2H6: Diborane(6), dialane(6), and digallane(6)
Molecular structures, harmonic vibrational frequencies, and infrared intensities for diborane B2H6, dialane Al2H6, and digallane Ga2H6 have been determined using high level ab initio quantumExpand