(C18H36N2O6Na)2[Ta6Cl12(CH3O)6].6CH3OH with partial substitution of CH3O− by OH−

Beck, Ulrich; Borrmann, Horst; Simon, A.

doi:10.1107/s0108270193008546

Cited by 7 publications

(4 citation statements)

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“…The broad lines of a X-ray powder pattern can be indexed on the basis of a face centered cubic lattice with a = 1451(2) pm. The volume of 3055 (13) x 106 pm3 is in agreement with four formula units per cell. Choosing…”

Section: Resultssupporting

confidence: 62%

Crystal Structures of trans‐[Ta₆Cl₁₂(OH)₄(H₂O)₂] · 10 H₂O and (NMe₄)₂[Ta₆Cl₁₂(OH)₆] · 21 H₂O

Beck

Simon

Širac

et al. 1997

Zeitschrift anorg allge chemie

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The compounds trans‐[Ta6Cl12(OH)4 (H2O)2] · 10 H2O 1, (NMe4)2[Ta6Cl12(OH)6] · 21 H2O 2 and Na2[Ta6Cl12(OH)6] · 16 H2O 3 containing octahedral tantalum chloro clusters were isolated from alkaline methanol/water solutions of [Ta6Cl12]4+. Crystal structures were solved for 1 and 2. Crystal data: 1, monoclinic, space group P21/c (No. 14), a = 938.5(2) pm, b = 1220.3(2) pm, c = 1391.7(4) pm, β = 103.87(2)°, V = 1547.5(6) × 106 pm3, Z = 2; 2, rhombohedral, space group R3 (No. 148), a = 1201.4(2) pm, c = 3110.8(6) pm, V = 3888.5(12) × 106 pm3, Z = 3; 3, cubic F lattice, a = 1451(2) pm, V = 3055(13) × 106 pm3, Z = 4. The cluster in 1 contains the neutral, mixed‐coordinated trans‐[Ta6Cl12(OH)4 (H2O)2] cluster with TaOH and TaOH2 distances of 210.4(5) pm and 214.5(5) pm, respectively. One coordinated H2O molecule from one cluster and a coordinated OH− group from a neighbouring cluster form H3O2− intercluster bridges with the O …︁ HO distance 253.7(7) pm. Twelve TaCl (bridging) distances range from 244.1(2) to 245.2(2) pm. The structure of 2 is built of [Ta6Cl12(OH)6]2− anions, NMe4+ cations and water molecules, the latter linked to the anions by hydrogen bonds.

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Section: Resultssupporting

confidence: 62%

Crystal Structures of trans‐[Ta₆Cl₁₂(OH)₄(H₂O)₂] · 10 H₂O and (NMe₄)₂[Ta₆Cl₁₂(OH)₆] · 21 H₂O

Beck

Simon

Širac

et al. 1997

Zeitschrift anorg allge chemie

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“…The same ligand arrangement is found in the above mentioned cluster compound [(crypt)Na] 2 [Na 2 (CH 3 OH) 8 ][Nb 6 Cl 12 (OCH 3 ) 6 ] ⋅ 7CH 3 OH [28] . Similar tantalum analoques are [Na 2 (CH 3 OH) 9 ][Ta 6 Cl 12 (OCH 3 ) 6 ] ⋅ 3MeOH and [(crypt)Na] 2 [Ta 6 Cl 12 (OCH 3 ) 6 ] ⋅ 7MeOH [31–32] . The cluster anion in 1 , [Mg(HOCH 3 ) 6 ] 3 [Nb 6 Cl 12 (OCH 3 ) 6 ] 2 ⋅ 6CH 3 OH, and in [(crypt)Na] 2 ‐[Na 2 (CH 3 OH) 8 ][Nb 6 Cl 12 (OCH 3 ) 6 ] ⋅ 7MeOH differ in their cation/anion ratio and thereby in the number of CBE's, which is 15 in 1 and 16 in the other compound.…”

Section: Resultsmentioning

confidence: 55%

“…[28] Similar tantalum analoques are [Na 2 (CH 3 OH) 9 ][Ta 6 Cl 12 (OCH 3 ) 6 ] • 3MeOH and [(crypt)Na] 2 [Ta 6 Cl 12 (OCH 3 ) 6 ] • 7MeOH. [31][32] The cluster anion in 1, ] nÀ units, that a removal of electrons from the highest occupied a 2u oribtal, which is metal-metal bonding and to a small extend metal-X i antibonding, results in an increase of the MÀ M distances from ~2.92 Å (16 CBE's) to ~2.98 Å (15 CBE's) and ~3.02 Å (14 CBE's). Accordingly, the MÀ X i distances decrease.…”

Section: Structuresmentioning

confidence: 99%

Hexanuclear Niobium Cluster Alcoholates – First Representatives with Isopropanolato Ligands

Köckerling

Schröder²

2022

Zeitschrift anorg allge chemie

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Four new compounds were synthesized which belong to the so far very small group of hexanuclear niobium cluster alcoholates. These are [Mg(HOCH 3 ) 6 ] 3 [Nb 6 Cl 12 (OCH 3 ) 6 ] 2 • 6CH 3 OH (1), (Ph 4 P) 2 [Nb 6 (OC 2 H 5 ) 12 Cl 6 ] (2), (Ph 4 P) 2 [Nb 6 (OC 3 H 7 ) i 4 Cl i 8 Cl a 6 ] (3) and (NC 5 H 6 ) 2 [Nb 6 (OC 3 H 7 ) 12 Cl 6 ] ( 4). The last two compounds represent the first examples with isopropanolato ligands on the inner coordination sites of the octahedral metal atom cores. The Xray structures of 1-3 have been determined. All cluster units with alcoholato ligands on the inner sites carry 14 cluster-based electrons (CBEs), as do all other so far known cluster alcohol-ates. The cluster unit in Compound 1, which carries chloride ligands on the inner coordination sites, is a 15 CBE unit. The cluster anion in 3 has four inner ligand sites occupied by isopropanolate anions, which are arranged trans to each other and define a common plane. Because of the smaller size of the alcoholato O donor atom compared to halogenido ligands matrix effects are not much or not at all present in the cluster anions of 2 and 3 (and 4) and thereby the NbÀ Nb distances are much smaller than found in cluster units with halogenido ligands.

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“…The coordinating ability of methanol can promote the in situ generation of methanolic cluster species, since the {Ta 6 Br i 12 } cluster core is known to exhibit chemical affinity to alcohol ligands. ,,,, In the conditions employed for the catalytic experiments, the aqua/methanol ligand exchange reaction was proposed to lead to [{Ta 6 Br i 12 }(H 2 O) a x (MeOH) a 6– x ] 2+ ( x = 1 to 5) species at the beginning of the reaction. The absorption spectrum of the [{Ta 6 Br i 12 }(H 2 O) a 5 (MeOH)] 2+ species was calculated at the TD-DFT level, showing two absorption NIR bands with similar fingerprints to [{Ta 6 Br i 12 }(H 2 O) a 6 ] 2+ , but with a bathochromic shift of 20–30 nm (Figure S9c).…”

Section: Resultsmentioning

confidence: 99%

Octahedral Tantalum Bromide Clusters as Catalysts for Light-Driven Hydrogen Evolution

Hernández,

Guevara,

Shamshurin

et al. 2023

Inorg. Chem.

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(C18H36N2O6Na)2[Ta6Cl12(CH3O)6].6CH3OH with partial substitution of CH3O− by OH−

Cited by 7 publications

References 1 publication

Crystal Structures of trans‐[Ta₆Cl₁₂(OH)₄(H₂O)₂] · 10 H₂O and (NMe₄)₂[Ta₆Cl₁₂(OH)₆] · 21 H₂O

Crystal Structures of trans‐[Ta₆Cl₁₂(OH)₄(H₂O)₂] · 10 H₂O and (NMe₄)₂[Ta₆Cl₁₂(OH)₆] · 21 H₂O

Hexanuclear Niobium Cluster Alcoholates – First Representatives with Isopropanolato Ligands

Octahedral Tantalum Bromide Clusters as Catalysts for Light-Driven Hydrogen Evolution

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(C18H36N2O6Na)2[Ta6Cl12(CH3O)6].6CH3OH with partial substitution of CH3O− by OH−

Cited by 7 publications

References 1 publication

Crystal Structures of trans‐[Ta6Cl12(OH)4(H2O)2] · 10 H2O and (NMe4)2[Ta6Cl12(OH)6] · 21 H2O

Crystal Structures of trans‐[Ta6Cl12(OH)4(H2O)2] · 10 H2O and (NMe4)2[Ta6Cl12(OH)6] · 21 H2O

Hexanuclear Niobium Cluster Alcoholates – First Representatives with Isopropanolato Ligands

Octahedral Tantalum Bromide Clusters as Catalysts for Light-Driven Hydrogen Evolution

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Crystal Structures of trans‐[Ta₆Cl₁₂(OH)₄(H₂O)₂] · 10 H₂O and (NMe₄)₂[Ta₆Cl₁₂(OH)₆] · 21 H₂O

Crystal Structures of trans‐[Ta₆Cl₁₂(OH)₄(H₂O)₂] · 10 H₂O and (NMe₄)₂[Ta₆Cl₁₂(OH)₆] · 21 H₂O