The crystal and molecular structure of NaBF<sub>3</sub>OH

Clark, Matthew; Lynton, H.

doi:10.1139/v70-066

Cited by 16 publications

(3 citation statements)

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“…This is achieved by tilting the two eclipsed cyclopentadienyl rings by about 4° and additionally by bending the boron substituent toward the anion [angle Z−C-1−B 5.4° and 3.8°, where Z denotes the geometrical center of the C 5 ring]. The resulting B−O bond lengths of 1.521(3) and 1.556(3) Å are in the normal range for tetrahedral boron (1.50−1.58 Å, excluding pure oxygen substitution) . A significantly longer B−O distance of 1.605(6) Å in ( 1a )(μ-OH) 2 indicates a stronger OH - chelation in the fluoro compound 11 as compared to the isopropyl derivative.…”

Section: Resultssupporting

confidence: 57%

Bis(boryl)metallocenes. 2.¹ Syntheses of 1,1‘-Bis(boryl)cobaltocenium Complexes

et al. 1998

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Bis(boryl)cobaltocenes Co(C5H4BR2)2 (1) can be made from CoBr2(DME) and alkali metal borylcyclopentadienides M(C5H4BR2) (M = Li, Na) (2). The two dialkylamino compounds 1c (R = NMe2) and 1d (R = NEt2) can be obtained in this way. Oxidation with C2Cl6 provides the ionic cobaltocenium chlorides (1c)Cl and (1d)Cl. Further cobaltocenium compounds can be synthesized by modification of the substituents at boron. Treatment of (1d)Cl with excess BCl3 affords the highly reactive chloride Co(C5H4BCl2)(C5H4BCl3) (5). Pinacolysis of 5 then affords the monosubstitution product Co[C5H4B(OCMe2)2](C5H4BCl3) (9) and the disubstitution product [Co{C5H4B(OCMe2)2}2]Cl [(1h)Cl], respectively, depending on stoichiometry and reaction conditions. Reaction of 5 with tetramethyltin replaces two chlorine atoms with methyl groups to give Co(C5H4BMe2)(C5H4BCl3) (10), while the more reactive trimethylaluminum replaces four chlorine substituents to give the salt [Co(C5H4BMe2)2]AlCl4 [(1b)AlCl4] and, after metathesis with NBu4PF6 in CH2Cl2, the more convenient hexafluorophosphate (1b)PF6. The corresponding cobaltocene 1b is then accessible via conventional amalgam reduction of (1b)AlCl4. Reaction of 5 with commercial AsF3 affords the robust inverse chelate Co(C5H4BF2)2(μ-OH) (11). Three structural types are encountered for the cobaltocenium derivatives: (i) ionic compounds (type A) such as (1c,d,h)Cl, (1b)AlCl4, and (1b)PF6; (ii) zwitterionic or semiquaternized compounds (type B) with one trigonal and one tetrahedral boron center such as 5, 9, and 10; of these, 5 is fluxional in solution with two effectively equivalent ligands while 9 and 10 display static structures; and (iii) the inverse chelate structure of 11 (type C) which is found in the crystal and in solution.

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Section: Resultssupporting

confidence: 57%

Bis(boryl)metallocenes. 2.¹ Syntheses of 1,1‘-Bis(boryl)cobaltocenium Complexes

et al. 1998

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“…Salts such as sodium hydroxyfluoroborate [13876- , NaBF 3 OH, are made by neutralizing the acid. The BF 3 OH − anions are distorted tetrahedra (14). In the HBO 2 -HF system, HBO 2 ·2HF was found to be HBF 2 (OH) 2 , dihydroxyfluoroboric acid [17068-89-2] (15).…”

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confidence: 99%

Fluorine Compounds, Inorganic, Fluoroboric Acid and Fluoroborates

Papcun

2000

Kirk-Othmer Encyclopedia of Chemical Technology

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Fluoroboric acid and the fluoroborates are commercially important to a variety of industries. The acid is used in plating circuits, in metal finishing, in the production of aluminum, and as an acid catalyst. Main group metal and ammonium fluoroborates find use as fluxes, as catalysts, and in flame‐retardant manufacture. Transition‐ and other heavy‐metal fluoroborate salts are used in the plating industry and as catalysts. Properties and manufacture are described.

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“…Therefore, a mixing of these derivatives of H 2 O.BF 3 with h-BN and electrolysis of the mixture will likely result in •OBF -3 -functionalized h-BN. While NaHOBF 3 has been synthesized by the reaction of NaHCO 3 and BF 3 in aqueous solution [110,111], the analogous LiOBF 3 has not been synthesized yet [112]. Nothing is known of Li 2 OBF 3 either.…”

Section: Radical Anions From H 2 Obf 3 Derivativesmentioning

confidence: 99%

Radical anion functionalization of two-dimensional materials as a means of engineering simultaneously high electronic and ionic conductivity solids

Németh¹

2021

Nanotechnology

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A radical anion based functionalization of the basal plane of hexagonal boron nitride (h-BN) and other two-dimensional materials is proposed in the present study. The resulting materials can reversibly be oxidized without the detachment of the functional groups from the basal plane and can thus serve as surface-intercalation type cathode electroactive species and fast solid ion conductors at the same time. The functionalization of h-BN with [·OBX3]− radical anions (X=F, Cl) in the presence of Li, Na or Mg cations provides one example of such systems. This material can be realized in a proposed simple, two step synthesis. In the first step, a symmetric Lewis adduct of the corresponding Li, Na or Mg peroxides is formed with BX3. In the second step, the anion of the Lewis adduct is thermally split into two identical [·OBX3]− radical anions that covalently functionalize the B atoms of h-BN. In the maximum density surface packing functionalization, the product of the synthesis is A n [(BN)2OBX3] (A = Li, Na with n = 1 or A = Mg with n = 0.5). Its ionic conductivity is predicted to be in the order of 0.01-0.1 S cm-1 at room temperature, on the basis of Grotthus-like (or paddle-wheel) ion transport. In the highly oxidized states (0 ≤ n ≤ 1 for Li and Na and 0 ≤ n ≤ 0.5 for Mg), the electronic conductivity of this material is in the order of 1 S cm−1, similar to carbon black. In the fully reduced states (n = 2 for Li and Na and n = 1 for Mg), the material becomes an insulator, like h-BN. The tunability of the electronic properties of A n [(BN)2OBX3] via the cation concentration (n) allows for its application as multifunctional material in energy storage devices, simultaneously serving as cathode active species, solid electrolyte, electroconductive additive, separator, heat conductor and coating for metal anodes that enables dendrite-free plating. This multifunctionality reduces the number of phases needed in an all-solid-state battery or supercapacitor and thus reduces the interfacial impedance making energy storage devices more efficient. For example, Li[(BN)2OBF3] is predicted to have 5.6 V open circuit voltage versus Li metal anode, capacity of 191 mAh g− 1, specific energy of 1067 Wh kg− 1 and can store energy at a (materials only) cost of 24 USD kWh− 1.

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The crystal and molecular structure of NaBF₃OH

Cited by 16 publications

References 4 publications

Bis(boryl)metallocenes. 2.¹ Syntheses of 1,1‘-Bis(boryl)cobaltocenium Complexes

Bis(boryl)metallocenes. 2.¹ Syntheses of 1,1‘-Bis(boryl)cobaltocenium Complexes

Fluorine Compounds, Inorganic, Fluoroboric Acid and Fluoroborates

Radical anion functionalization of two-dimensional materials as a means of engineering simultaneously high electronic and ionic conductivity solids

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The crystal and molecular structure of NaBF3OH

Cited by 16 publications

References 4 publications

Bis(boryl)metallocenes. 2.1 Syntheses of 1,1‘-Bis(boryl)cobaltocenium Complexes

Bis(boryl)metallocenes. 2.1 Syntheses of 1,1‘-Bis(boryl)cobaltocenium Complexes

Fluorine Compounds, Inorganic, Fluoroboric Acid and Fluoroborates

Radical anion functionalization of two-dimensional materials as a means of engineering simultaneously high electronic and ionic conductivity solids

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The crystal and molecular structure of NaBF₃OH

Bis(boryl)metallocenes. 2.¹ Syntheses of 1,1‘-Bis(boryl)cobaltocenium Complexes

Bis(boryl)metallocenes. 2.¹ Syntheses of 1,1‘-Bis(boryl)cobaltocenium Complexes