12370-59-1

Usage

Uses

Used in Catalysts for Organic Transformations:
Zirconium, tetrakis[tetrahydroborato(1-)-kH,kH',kH'']is used as a catalyst in various organic transformations due to its unique structure and properties. It facilitates chemical reactions, improving efficiency and selectivity in the synthesis of complex organic molecules.
Used in Synthesis of Zirconium-based Materials:
As a precursor, Zirconium, tetrakis[tetrahydroborato(1-)-kH,kH',kH'']is used in the synthesis of zirconium-based materials, which have applications in various industries such as aerospace, automotive, and electronics.
Used in Semiconductor Industry:
Zirconium, tetrakis[tetrahydroborato(1-)-kH,kH',kH'']is utilized in the semiconductor industry for the fabrication of electronic devices and components. Its properties make it suitable for use in the production of high-performance semiconductor materials.
Used in Environmentally Friendly Applications:
Due to its relatively non-toxic and environmentally friendly nature, Zirconium, tetrakis[tetrahydroborato(1-)-kH,kH',kH'']is used in applications that prioritize eco-friendliness and sustainability, such as green chemistry and clean energy technologies.
Used in Research and Development:
Zirconium, tetrakis[tetrahydroborato(1-)-kH,kH',kH'']is employed in research and development for the exploration of new applications and properties of zirconium-based compounds. Its unique characteristics make it a valuable subject for scientific investigation and innovation.

Upstream product

• 10026-11-6 zirconium(IV) chloride 

Downstream Products

• 12045-64-6 zirconium diboride 

Relevant academic research and scientific papers

Molecular structures of two metal tetrakis(tetrahydroborates), Zr(BH4)4 and U(BH4)4: Equilibrium conformations and barriers to internal rotation of the triply bridging BH4 groups

The molecular structures of Zr[(μ-H)3BH]4 and U[(μ-H)3BH]4 have been investigated by density functional theory (DFT) calculations and gas electron diffraction (GED). The triply bridged bonding mode of the tetrahydroborate groups in the former is confirmed, but both DFT calculations and GED structure refinements indicate that the BH4 groups are rotated some 12° away from the orientation in which the three bridging B-H bonds are staggered with respect to the opposing ZrB3 fragment. As a result the symmetry of the equilibrium conformation is reduced from Td to T. Bond distances and valence angles are as follows (DFT/GED): Zr-B = 232.2/232.4(5) pm; Zr-Hb = 214.8/214.4(6) pm; B-Hb = 125.3/127.8(8) pm; B-Ht = 119.4/118.8(17) pm; 〈ZrBHb 66.2/65.6(3)°; the smallest dihedral angle of type τ(BZrBHb) = 48/45(2)°. DFT calculations on Hf(BH4)4 indicate that the structure of this molecule is very similar to that of the Zr analogue. Matrix-isolation IR spectroscopy and DFT calculations on U(BH4)4 show that while the polymeric solid-state structure is characterized by terminal triply bridging and metal-metal bridging bidentate BH4 groups, all BH4 groups are triply bridging in the gaseous monomer. Calculations with one of the two nonbonding 5f electrons on U occupying an a1 and the other distributed equally among the three t2 orbitals indicate that the equilibrium conformation has Td symmetry, i.e. that the three B-Hb bonds of each tetrahydroborate group are exactly staggered with respect to the opposing UB3 fragment with τ(BUBHb) = 60°. Calculations including spin-orbit interactions indicate that Jahn-Teller distortions from Td symmetry are either absent or very small. The best agreement between observed and calculated GED intensity data was obtained for a model of Td symmetry, but models of T symmetry with dihedral angles τ(BUBHb) > 42° cannot be ruled out. Bond distances and valence angles are as follows (DFT/GED): U-B = 248.8/251.2(4) pm; U-Hb = 227.7/231.5(6) pm; B-Hb = 126.0/131.6(5) pm, B-Ht = 119.5/117.8(11) pm; 〈UBHb = 65.6/63.1(3)°. It is suggested that the different equilibrium conformations of the three molecules are determined primarily by repulsion between bridging H atoms in different tetrahydroborate groups.

ZIRCONIUM BOROHYDRIDE AS A ZIRCONIUM BORIDE PRECURSOR.

Synthesis of zirconium boride, ZrB//2, from zirconium borohydride has been explored by a variety of methods, including chemical vapor deposition (CVD) in a hot tube, laser CVD with both continuous-wave (cw) and pulsed lasers, and cw-laser synthesis of fine powders. In all cases, ZrB//2 was the only crystalline product identified. Products made at high temperature contained excess boron, while those made at low temperature were boron-deficient.