PROBABLE STRUCTURE OF THE B10H10-2 ION

Lipscomb, William N.; Pitochelli, Anthony R.; Hawthorne, M. Frederick

doi:10.1021/ja01530a073

Cited by 97 publications

(47 citation statements)

References 1 publication

(1 reference statement)

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“…11B), which is still being used in the clinical settings today. 119,124,125 Between 1959 and 1960, the discovery of polyhedral borane anions closo -[B 10 H 10 ] 2− and closo -[B 12 H 12 ] 2− 5,6,126 sparked renewed interest in BNCT given the exceptional stability of these species and their high boron content. The sodium salt of [B 10 H 10 ] 2− (Fig.…”

Section: Biological Applicationsmentioning

confidence: 99%

Synthesis and Applications of Perfunctionalized Boron Clusters

et al. 2018

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This Viewpoint Article describes major advances pertaining to perfunctionalized boron clusters in synthesis and their respective applications. The first portion of this work highlights key synthetic methods allowing one to access a wide range of polyhedral boranes (B4 and B6 – B12 cluster cores) that contain exhaustively functionalized vertices. The second portion of this Viewpoint showcases the historical developments in using these molecules for applications ranging from materials science to medicine. Lastly, we suggest potential new directions for these clusters as they apply to both synthetic methods and applications.

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Section: Biological Applicationsmentioning

confidence: 99%

Synthesis and Applications of Perfunctionalized Boron Clusters

et al. 2018

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“…Aromaticity in chemistry manifests itself through enhanced stability, low reactivity, bond‐length equalization, and high electron detachment energies in photoelectron spectra . It was Lipscomb, who extended aromaticity into three‐dimensions in 1959 . He proposed the term “superaromaticity” to explain the three‐dimensional (3D) aromaticity of

{normalB}_{12} {normalH}_{12}^{2 -}

.…”

Section: Introductionmentioning

confidence: 99%

d‐AO spherical aromaticity in Ce₆O₈

Oganov

Popov

et al. 2015

J Comput Chem

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After the first introduction of π aromaticity in chemistry to explain the bonding, structure, and reactivity of benzene and its derivatives, this concept was further applied to many other compounds featuring other types of aromaticity (i.e., σ, δ). Thus far, there have been no reports on d-AO-based spherical σ aromaticity. Here, we predict a highly stable bare Ce6O8 cluster of a spherical shape using evolutionary algorithm USPEX and DFT + U calculations. Natural bond orbital analysis, adaptive natural density partitioning algorithm, electron localization function, and partial charge plots demonstrate that bare Ce6O8 cluster exhibits d-AO spherical σ aromaticity, thus explaining its exotic geometry and stability. Ce6O8 complex plays an important role in many reactions and is known to exist in many forms, such as in NH4[Ce6(μ(3)O)5(μ(3)OH)3(μ(2)-C6H5COO)9(NO3)3(DMF)3]*DMF*H2O compound, which is prepared under room temperature, and acts as an oxidizing agent.

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“…Compounds containing the [B 10 H 10 ] 2À cluster have been known since 1959, when bis(tetramethylammonium)-decahydrodecaborate, [N(CH 3 ) 4 ] 2 [B 10 H 10 ], was synthesised [1]. On the basis of NMR spectroscopy as well as early MO calculations the geometry of the cluster was assumed to be a closo-cluster in form of a bicapped square antiprism.…”

Section: Introductionmentioning

confidence: 99%

Crystal structures of M₂[B₁₀H₁₀] (M = Na, K, Rb) via real-space simulated annealing powder techniques

Hofmann¹,

Albert²

2005

Zeitschrift Für Kristallographie - Crystalline Materials

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Decahydro-closo-decaborates / Simulated annealing / Powder diffraction structure analysis / X-ray diffraction Abstract. Alkali metal decahydro-closo-decaborates M 2 [B 10 H 10 ] (M ¼ Na, K, Rb) were synthesised by ionexchange and characterised via infrared and 11 B-NMR spectroscopy. The crystal structures of Na 2 [B 10 H 10 ], K 2 [B 10 H 10 ], and Rb 2 [B 10 H 10 ] were determined from X-ray powder diffraction data using real-space techniques. The compounds crystallise in the monoclinic space group P2 1 /n (no. 14) with the lattice constants: Na 2 [B 10 H 10 ]: a ¼ 1028.28 (6) pm, b ¼ 1302.18(5) pm, c ¼ 667.34(3) pm, b ¼ 93.754(3) ; K 2 [B 10 H 10 ]: a ¼ 1285.54(8) pm, b ¼ 1117.84(7) pm, c ¼ 682.27(4) pm, b ¼ 93.357(3) ; Rb 2 [B 10 H 10 ]: a ¼ 1320.04(7) pm, b ¼ 1136.88(6) pm, c ¼ 704.23(4) pm, b ¼ 94.158(3) . The hydroborate anions are arranged almost hexagonally with alkali metal cations in the tetrahedral interstices.

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PROBABLE STRUCTURE OF THE B₁₀H₁₀^-2 ION

Cited by 97 publications

References 1 publication

Synthesis and Applications of Perfunctionalized Boron Clusters

Synthesis and Applications of Perfunctionalized Boron Clusters

d‐AO spherical aromaticity in Ce₆O₈

Crystal structures of M₂[B₁₀H₁₀] (M = Na, K, Rb) via real-space simulated annealing powder techniques

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PROBABLE STRUCTURE OF THE B10H10-2 ION

Cited by 97 publications

References 1 publication

Synthesis and Applications of Perfunctionalized Boron Clusters

Synthesis and Applications of Perfunctionalized Boron Clusters

d‐AO spherical aromaticity in Ce6O8

Crystal structures of M2[B10H10] (M = Na, K, Rb) via real-space simulated annealing powder techniques

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PROBABLE STRUCTURE OF THE B₁₀H₁₀^-2 ION

d‐AO spherical aromaticity in Ce₆O₈

Crystal structures of M₂[B₁₀H₁₀] (M = Na, K, Rb) via real-space simulated annealing powder techniques