Structure of the second crystalline form of uranium(IV) tetrahydroborate

Charpin, P.; Nierlich, Martine; Vigner, D.; Lance, M.; Baudry, Denise

doi:10.1107/s0108270187091431

Cited by 20 publications

(17 citation statements)

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“…the BH 4 groups are generally tetradentate. Depending on the oxidation state of the metal, the number of BH 4 tetrahedra, the nature of the stabilising ligands and crystallisation conditions, this type of coordination of bridging groups results in the formation of dimers, 189,212,213,216 infinite polymer chains, 160,200,202,217 a two-dimensional network, 210 or a threedimensional network. 147,207,208 Apparently, three-dimensional structures of this type are also formed in some non-solvated compounds M n (BH 4 ) n (`ionic' tetrahydroborates).…”

Section: Tetrahydroborate Complexes With Bridging Bh 4 Ligandsmentioning

confidence: 99%

Structural and dynamic properties of tetrahydroborate complexes

Makhaev¹

2000

Russ. Chem. Rev.

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Section: Tetrahydroborate Complexes With Bridging Bh 4 Ligandsmentioning

confidence: 99%

Structural and dynamic properties of tetrahydroborate complexes

Makhaev¹

2000

Russ. Chem. Rev.

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“…− ligands and two terminal κ 3 -BH 4 − ligands, but the latter are mutually trans rather than cis. 30 As a result, the bridging BH 4…”

Section: ■ Introductionmentioning

confidence: 99%

“…Interestingly, in 1979, a new polymorph of U(BH 4 ) 4 was discovered that is orthorhombic instead of tetragonal . In this orthorhombic phase, each uranium center is also bound to four bridging κ 2 -BH 4 – ligands and two terminal κ 3 -BH 4 – ligands, but the latter are mutually trans rather than cis . As a result, the bridging BH 4 – ions form a 2D polymeric network that is quite different from the 3D network seen in the tetragonal polymorph.…”

Section: Introductionmentioning

confidence: 99%

X-ray Crystal Structure of Thorium Tetrahydroborate, Th(BH₄)₄, and Computational Studies of An(BH₄)₄ (An = Th, U)

et al. 2021

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The crystal structure of Th(BH4)4 is described. Two of the four BH4 – ions are terminal and tridentate (κ3), whereas the other two bridge between neighboring ThIV centers in a κ2,κ2 (i.e., bis-bidentate) fashion. Thus, each thorium center is bound to six BH4 – groups by 14 Th–H bonds. The six boron atoms describe a distorted octahedron in which the κ3-BH4 – ions are mutually cis; the 14 ligating hydrogen atoms define a highly distorted bicapped hexagonal antiprism. The thorium centers are linked into a polymer consisting of interconnected helical chains wound about 4-fold screw axes. The structures of An(BH4)4 (An = Th, U) were also investigated by DFT. The geometries of [An(BH4)6]2–, [An3(BH4)16]4–, and [An5(BH4)26]6– fragments of the polymeric structures were optimized at the B3LYP and/or PBE levels. Most calculated geometries are 14-coordinate and agree with the experimental structures, but isolated [Th(BH4)6]2– units are predicted to feature 16-coordinate ThIV centers.

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“…These borohydrides are only stable in solution at low temperature, and they have not been isolated in pure, solid form, with a d 1 exception to the rule coming from a molecular borohydride of Ti(BH 4 ) 3 , which has limited stability below 0°C [ 202 ]. Some borohydrides like Zr(BH 4 ) 4 (sublimes at 29 °C) form quality single-crystals by CVD when stored in a closed vessel, due to its molecular structure [ 203 , 204 , 205 , 206 , 207 , 208 , 209 , 210 ].…”

Section: Structural Considerations Of M(bh 4 ) ...mentioning

confidence: 99%

Complex Metal Borohydrides: From Laboratory Oddities to Prime Candidates in Energy Storage Applications

Comănescu

2022

Materials

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Despite being the lightest element in the periodic table, hydrogen poses many risks regarding its production, storage, and transport, but it is also the one element promising pollution-free energy for the planet, energy reliability, and sustainability. Development of such novel materials conveying a hydrogen source face stringent scrutiny from both a scientific and a safety point of view: they are required to have a high hydrogen wt.% storage capacity, must store hydrogen in a safe manner (i.e., by chemically binding it), and should exhibit controlled, and preferably rapid, absorption–desorption kinetics. Even the most advanced composites today face the difficult task of overcoming the harsh re-hydrogenation conditions (elevated temperature, high hydrogen pressure). Traditionally, the most utilized materials have been RMH (reactive metal hydrides) and complex metal borohydrides M(BH4)x (M: main group or transition metal; x: valence of M), often along with metal amides or various additives serving as catalysts (Pd2+, Ti4+ etc.). Through destabilization (kinetic or thermodynamic), M(BH4)x can effectively lower their dehydrogenation enthalpy, providing for a faster reaction occurring at a lower temperature onset. The present review summarizes the recent scientific results on various metal borohydrides, aiming to present the current state-of-the-art on such hydrogen storage materials, while trying to analyze the pros and cons of each material regarding its thermodynamic and kinetic behavior in hydrogenation studies.

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Structure of the second crystalline form of uranium(IV) tetrahydroborate

Cited by 20 publications

References 1 publication

Structural and dynamic properties of tetrahydroborate complexes

Structural and dynamic properties of tetrahydroborate complexes

X-ray Crystal Structure of Thorium Tetrahydroborate, Th(BH₄)₄, and Computational Studies of An(BH₄)₄ (An = Th, U)

Complex Metal Borohydrides: From Laboratory Oddities to Prime Candidates in Energy Storage Applications

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Structure of the second crystalline form of uranium(IV) tetrahydroborate

Cited by 20 publications

References 1 publication

Structural and dynamic properties of tetrahydroborate complexes

Structural and dynamic properties of tetrahydroborate complexes

X-ray Crystal Structure of Thorium Tetrahydroborate, Th(BH4)4, and Computational Studies of An(BH4)4 (An = Th, U)

Complex Metal Borohydrides: From Laboratory Oddities to Prime Candidates in Energy Storage Applications

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Product

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X-ray Crystal Structure of Thorium Tetrahydroborate, Th(BH₄)₄, and Computational Studies of An(BH₄)₄ (An = Th, U)