Room-temperature synthesis of nickel borides via decomposition of NaBH(4) promoted by nickel bromide.
We report the formation of nickel borides, at room temperature and pressure, from the decomposition of NaBH(4) promoted by the addition of nickel bromide at different concentrations in a dispersing organic medium, tetrahydrofuran and pentane. The nickel borides, formed as amorphous powders, were analyzed, and the structure information served as input for modeling a periodic lattice structure with the same composition. Experimentally, the nickel boride phases were predominantly composed of a boron-rich phase with composition NiB(3). Combining FT-IR, X-ray diffraction analyses, and theoretical structure determination, we suggest for it a monoclinic structure, with symmetry group P2(1)/c, lattice parameters a =3.038 Å, b = 8.220 Å, c = 5.212 Å, α = β = 90.00° and γ = 87.57°. The enthalpies of formation of the nickel boride phases, as well as the lattice stability, were calculated using density functional theory and density functional perturbation theory methods.
Caputo
Riccarda
R
ETH Zürich, Department of Chemistry and Applied Biosciences, Lab Inorganic Chemistry, Wolfgang-Pauli Strasse 10, CH-8093 Zürich, Switzerland. riccarda.caputo@inorg.chem.ethz.ch
Guzzetta
Fabrizio
F
Angerhofer
Alexander
A
D001880:Boranes / Q000138:chemical synthesis* / Q000737:chemistry; D001894:Borohydrides / Q000737:chemistry*; D001965:Bromides / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D009532:Nickel / Q000737:chemistry*; D013696:Temperature
D001880:Boranes; D001894:Borohydrides; D001965:Bromides; C049893:nickel boride; D009532:Nickel; C025364:sodium borohydride