Undecaborates M2[B11H11]: Facile Synthesis, Crystal Structure, and Reactions

Volkov, O. V.; Dirk, W.; Englert, Ulli; Paetzold, Peter

doi:10.1002/(sici)1521-3749(199907)625:7<1193::aid-zaac1193>3.0.co;2-l

Cited by 50 publications

(49 citation statements)

References 15 publications

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“…More recent investigations of these clusters have resulted in the X-ray crystallographic analysis of the structures as well as further functionalization, however the halogenated derivatives remain the only perfunctionalized clusters in the B n H n (n = 7–11) series to date. 57,61–64 …”

Section: Synthesis Of Perfunctionalized Boron Clustersmentioning

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: Synthesis Of Perfunctionalized Boron Clustersmentioning

confidence: 99%

Synthesis and Applications of Perfunctionalized Boron Clusters

et al. 2018

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“…2; note that we use a numbering system for B, which is derived from A, Fig. The geometric data were used for a GIAO computation of the 1 H and 11 B NMR shifts of C. The results are compared to the data, which had been measured in CD 2 Cl 2 at ±40°C [9] in Table 2. 2).…”

Section: Calculated Structure and Nmr Spectra Of [B 11 H 12 ] ±mentioning

confidence: 99%

“…We had proposed, that a proton attacks [B 11 H 11 ] 2± at the bond 2±4 of B 1 , which connects the vertices of lowest connectivity (c = 4) [9]. The obtained anion [B 11 H 12 ] ± is stable in solution up to ±10°C and ± in contrast to the conjugate base ± does not exhibit skeletal mobility, according to the NMR spectra.…”

Section: Introductionmentioning

confidence: 99%

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Dodecahydro-closo-undecaborate [B11H12]-

Volkov

Radacki

Paetzold

et al. 2001

Z. anorg. allg. Chem.

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DFT-calculations of the geometries of the closoanion [B 11 H 11 ] 2± in its ground state and in the transition state of its skeletal rearrangement and of the protonated species [B 11 H 12 ] ± in its ground state were performed at the B3LYP/6-31++G(d,p) level. The corresponding NMR shifts were computed on the basis of the optimized geometry by the GIAO method at the same level. Calculated and observed NMR data are in good agreement and thus prove the structure of [B 11 H 12 ] ± , previously deduced from 2 D-NMR spectra. The addition of water, ethanol, and pyridine to [B 11 H 12 ] ± at low temperature gave the nido-species [B 11 H 13 (OH)] ± , [B 11 H 13 (OEt)] ± , and [B 11 H 12 (py)] ± , respectively. The structures of these anions were investigated by NMR methods and the last two of them by crystal structure analyses of appropriate salts. The course of the addition reactions can be rationalized on the basis of the structurally characterized reaction components. Dodecahydroundecaborate [B 11 H 12 ] ± Inhaltsu È bersicht. Die Geometrie des closo-Anions [B 11 H 11 ] 2± im Grundzustand und im Ûbergangszustand seiner Geru È stumlagerung und die Geometrie der protonierten Spezies [B 11 H 12 ] ± wurden auf B3LYP/6-31++G(d,p)-Niveau berechnet. Auf der Grundlage der Geometrie wurden die entsprechenden NMR-Verschiebungen nach der GIAO-Methode auf demselben Niveau bestimmt. Die berechneten und die beobachteten NMR-Daten stimmen gut u È berein, so daû die fru È her aus 2 D-NMR-Daten abgeleitete Struktur von [B 11 H 12 ] ± als bewiesen gelten kann. Die Addition von Wasser, Ethanol und Pyridin zu [B 11 H 12 ] ± bei tiefer Temperatur erbringt die nido-Spezies [B 11 H 13 (OH)] ± , [B 11 H 13 (OEt)] ± bzw. [B 11 H 12 (py)] ± , deren Strukturen durch NMR-Methoden und die der beiden letztgenannten auch durch Kristallstrukturanalyse geeigneter Salze aufgekla È rt wurden. Die nunmehr bekannten Strukturen aller beteiligten Komponenten machen den Ablauf der genannten Additionsreaktionen plausibel.

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“…The second principal type of carbaalane has a closo-configuration on the basis of its structure and electron count (3; Scheme 1) and is a remarkable analogue of the closo-borate anion [B 11 H 11 ] 2Ϫ . [5] The bonding situation in the carbaalanes has been studied by quantum-chemical calculations. [4] They revealed a delocalized multi-centre bonding with only weak direct AlϪAl interactions.…”

Section: Introductionmentioning

confidence: 99%

New Carbaalanes − (AlMe)8(CCH2Me)5(C≡C−Me) and the THF Adduct (AlMe)8(CCH2Me)5H·2THF

Uhl

Breher

Mbonimana

et al. 2001

Eur. J. Inorg. Chem.

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The hydroalumination of Me2Al−C≡C−Me with a large excess of Me2AlH afforded the arachno‐carbaalane (AlMe)8(CCH2Me)5H (4) by the release of AlMe3. 4 is almost insoluble in noncoordinating solvents and could not be purified by recrystallization. On an attempt to recrystallize 4 from a THF solution, the adduct (AlMe)8(CCH2Me)5H·2THF (5) was isolated as the first stable ether adduct of a carbaalane. Crystal structure determination revealed a cube of eight aluminium atoms, five faces of which are bridged by C−CH2Me groups. The sixth face is µ2‐bridged by a hydrogen atom, and two opposite aluminium atoms of this face are coordinated by one THF ligand each. When the excess of dimethylaluminium hydride was reduced and the starting compounds were employed in a 1:2.1 molar ratio, an incomplete hydroalumination reaction led to the formation of the carbaalane (AlMe)8(CCH2Me)5(µ‐C≡C−Me) (6), in which the bridging hydrogen atom of 4 is replaced by an alkynido group. 27Al NMR spectroscopic data of all the characterized carbaalanes are reported and supplemented by 27Al NMR chemical shift calculations.

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Undecaborates M2[B11H11]: Facile Synthesis, Crystal Structure, and Reactions

Cited by 50 publications

References 15 publications

Synthesis and Applications of Perfunctionalized Boron Clusters

Synthesis and Applications of Perfunctionalized Boron Clusters

Dodecahydro-closo-undecaborate [B11H12]-

New Carbaalanes − (AlMe)8(CCH2Me)5(C≡C−Me) and the THF Adduct (AlMe)8(CCH2Me)5H·2THF

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