First structural characterisation of a 2,1,12-MC2B9 metallacarborane, [2,2,2-(NMe2)3-closo-2,1,12-TaC2B 9H11]. Trends in boron NMR shifts on replacing a {BH} vertex with a metal {MLn} vertex in icosahedral carboranes

Andrci S. Batsanov; Pauline A. Eva; Mark A. Fox; Judith A.K. Howard; Andrew K. Hughes; Andrew L. Johnson; Aileen M. Martin; Ken Wade

doi:10.1039/b005294i

First structural characterisation of a 2,1,12-MC₂B₉ metallacarborane, [2,2,2-(NMe₂)₃-closo-2,1,12-TaC₂B ₉H₁₁]. Trends in boron NMR shifts on replacing a {BH} vertex with a metal {ML_n} vertex in icosahedral carboranes

Andrci S. Batsanov, Pauline A. Eva, Mark A. Fox, Judith A.K. Howard, Andrew K. Hughes, Andrew L. Johnson, Aileen M. Martin, Ken Wade

Department of Chemistry

Durham University

Research output: Contribution to journal › Article › peer-review

24 Citations (SciVal)

Abstract

Reactions of M(NMe2)5 (M = Ta or Nb) with nido-2,9-C₂B9H₁₃ and the salt [Me3NH][;Y/o-7,9-C2B9H₁₂] gave the isomeric dicarbollide complexes [2,2,2-(NMe₂)₃-c/ajo-2,1,12-MC2B9H₁₁] (M = Ta 1, Nb 4) and [2,2,2-(NMe₂)₃-closo-2,1,7-MC2B9H₁₁] (M = Ta 2, Nb 5) respectively. The structures of l and 2 were determined by single crystal X-ray diffraction and 1 represents the first structurally characterised example of a 2,1,12-MC₂B₉ metallacarborane. Comparison of ¹¹B NMR data of the tantalum complexes, along with the isomeric [3,3,3-(NMe2)3-c/o5o-3,1,2TaC₂B₉H₁₁] ₃, with that of 1,2-, 1,7- and 1,12-C₂B₁₀H₁₂, reveals that the metal vertex {Ta(NMe₂)₃}, on replacing a {BH} vertex, influences significantly the boron NMR shifts of the neighbouring and antipodal cage atoms. Based on this observation the assignments of the reported peaks in the boron NMR data for the seven isomers of (n₅-CjH₅)CoC₂B₉H_n are tentatively predicted.

Original language	English
Pages (from-to)	3519-3525
Number of pages	7
Journal	Journal of the Chemical Society, Dalton Transactions
Issue number	20
DOIs	https://doi.org/10.1039/b005294i
Publication status	Published - 1 Dec 2000

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General Chemistry

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Batsanov, A. S., Eva, P. A., Fox, M. A., Howard, J. A. K., Hughes, A. K., Johnson, A. L., Martin, A. M., & Wade, K. (2000). First structural characterisation of a 2,1,12-MC₂B₉ metallacarborane, [2,2,2-(NMe₂)₃-closo-2,1,12-TaC₂B ₉H₁₁]. Trends in boron NMR shifts on replacing a {BH} vertex with a metal {ML_n} vertex in icosahedral carboranes. Journal of the Chemical Society, Dalton Transactions, (20), 3519-3525. https://doi.org/10.1039/b005294i

First structural characterisation of a 2,1,12-MC₂B₉ metallacarborane, [2,2,2-(NMe₂)₃-closo-2,1,12-TaC₂B ₉H₁₁]. Trends in boron NMR shifts on replacing a {BH} vertex with a metal {ML_n} vertex in icosahedral carboranes. / Batsanov, Andrci S.; Eva, Pauline A.; Fox, Mark A. et al.
In: Journal of the Chemical Society, Dalton Transactions, No. 20, 01.12.2000, p. 3519-3525.

Research output: Contribution to journal › Article › peer-review

Batsanov, AS, Eva, PA, Fox, MA, Howard, JAK, Hughes, AK, Johnson, AL, Martin, AM & Wade, K 2000, 'First structural characterisation of a 2,1,12-MC₂B₉ metallacarborane, [2,2,2-(NMe₂)₃-closo-2,1,12-TaC₂B ₉H₁₁]. Trends in boron NMR shifts on replacing a {BH} vertex with a metal {ML_n} vertex in icosahedral carboranes', Journal of the Chemical Society, Dalton Transactions, no. 20, pp. 3519-3525. https://doi.org/10.1039/b005294i

Batsanov AS, Eva PA, Fox MA, Howard JAK, Hughes AK, Johnson AL et al. First structural characterisation of a 2,1,12-MC₂B₉ metallacarborane, [2,2,2-(NMe₂)₃-closo-2,1,12-TaC₂B ₉H₁₁]. Trends in boron NMR shifts on replacing a {BH} vertex with a metal {ML_n} vertex in icosahedral carboranes. Journal of the Chemical Society, Dalton Transactions. 2000 Dec 1;(20):3519-3525. doi: 10.1039/b005294i

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title = "First structural characterisation of a 2,1,12-MC2B9 metallacarborane, [2,2,2-(NMe2)3-closo-2,1,12-TaC2B 9H11]. Trends in boron NMR shifts on replacing a {BH} vertex with a metal {MLn} vertex in icosahedral carboranes",

abstract = "Reactions of M(NMe2)5 (M = Ta or Nb) with nido-2,9-C2B9H13 and the salt [Me3NH][;Y/o-7,9-C2B9H12] gave the isomeric dicarbollide complexes [2,2,2-(NMe2)3-c/ajo-2,1,12-MC2B9H11] (M = Ta 1, Nb 4) and [2,2,2-(NMe2)3-closo-2,1,7-MC2B9H11] (M = Ta 2, Nb 5) respectively. The structures of l and 2 were determined by single crystal X-ray diffraction and 1 represents the first structurally characterised example of a 2,1,12-MC2B9 metallacarborane. Comparison of 11B NMR data of the tantalum complexes, along with the isomeric [3,3,3-(NMe2)3-c/o5o-3,1,2TaC2B9H11] 3, with that of 1,2-, 1,7- and 1,12-C2B10H12, reveals that the metal vertex {Ta(NMe2)3}, on replacing a {BH} vertex, influences significantly the boron NMR shifts of the neighbouring and antipodal cage atoms. Based on this observation the assignments of the reported peaks in the boron NMR data for the seven isomers of (n5-CjH5)CoC2B9Hn are tentatively predicted.",

author = "Batsanov, {Andrci S.} and Eva, {Pauline A.} and Fox, {Mark A.} and Howard, {Judith A.K.} and Hughes, {Andrew K.} and Johnson, {Andrew L.} and Martin, {Aileen M.} and Ken Wade",

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T1 - First structural characterisation of a 2,1,12-MC2B9 metallacarborane, [2,2,2-(NMe2)3-closo-2,1,12-TaC2B 9H11]. Trends in boron NMR shifts on replacing a {BH} vertex with a metal {MLn} vertex in icosahedral carboranes

AU - Batsanov, Andrci S.

AU - Eva, Pauline A.

AU - Fox, Mark A.

AU - Howard, Judith A.K.

AU - Hughes, Andrew K.

AU - Johnson, Andrew L.

AU - Martin, Aileen M.

AU - Wade, Ken

PY - 2000/12/1

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N2 - Reactions of M(NMe2)5 (M = Ta or Nb) with nido-2,9-C2B9H13 and the salt [Me3NH][;Y/o-7,9-C2B9H12] gave the isomeric dicarbollide complexes [2,2,2-(NMe2)3-c/ajo-2,1,12-MC2B9H11] (M = Ta 1, Nb 4) and [2,2,2-(NMe2)3-closo-2,1,7-MC2B9H11] (M = Ta 2, Nb 5) respectively. The structures of l and 2 were determined by single crystal X-ray diffraction and 1 represents the first structurally characterised example of a 2,1,12-MC2B9 metallacarborane. Comparison of 11B NMR data of the tantalum complexes, along with the isomeric [3,3,3-(NMe2)3-c/o5o-3,1,2TaC2B9H11] 3, with that of 1,2-, 1,7- and 1,12-C2B10H12, reveals that the metal vertex {Ta(NMe2)3}, on replacing a {BH} vertex, influences significantly the boron NMR shifts of the neighbouring and antipodal cage atoms. Based on this observation the assignments of the reported peaks in the boron NMR data for the seven isomers of (n5-CjH5)CoC2B9Hn are tentatively predicted.

AB - Reactions of M(NMe2)5 (M = Ta or Nb) with nido-2,9-C2B9H13 and the salt [Me3NH][;Y/o-7,9-C2B9H12] gave the isomeric dicarbollide complexes [2,2,2-(NMe2)3-c/ajo-2,1,12-MC2B9H11] (M = Ta 1, Nb 4) and [2,2,2-(NMe2)3-closo-2,1,7-MC2B9H11] (M = Ta 2, Nb 5) respectively. The structures of l and 2 were determined by single crystal X-ray diffraction and 1 represents the first structurally characterised example of a 2,1,12-MC2B9 metallacarborane. Comparison of 11B NMR data of the tantalum complexes, along with the isomeric [3,3,3-(NMe2)3-c/o5o-3,1,2TaC2B9H11] 3, with that of 1,2-, 1,7- and 1,12-C2B10H12, reveals that the metal vertex {Ta(NMe2)3}, on replacing a {BH} vertex, influences significantly the boron NMR shifts of the neighbouring and antipodal cage atoms. Based on this observation the assignments of the reported peaks in the boron NMR data for the seven isomers of (n5-CjH5)CoC2B9Hn are tentatively predicted.

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