Preparation, reactions, and nuclear magnetic resonance spectra of disubstituted derivatives of the octahydrotriborate(1-) ion, [B3H6XX′]- (X = Cl, X′ = Cl, NCS, NCBH3, or NCBH2Cl); Molecular structure of [B3H6Cl2]- and partial structure of [B3H6Cl(NCS)]-

Marisa Arunchaiya; John H. Morris; Steven J. Andrews; Dorothy A. Welch; Alan J. Welch

doi:10.1039/DT9840002525

Preparation, reactions, and nuclear magnetic resonance spectra of disubstituted derivatives of the octahydrotriborate(1-) ion, [B₃H₆XX′]^- (X = Cl, X′ = Cl, NCS, NCBH₃, or NCBH₂Cl); Molecular structure of [B₃H₆Cl₂]^- and partial structure of [B₃H₆Cl(NCS)]^-

Marisa Arunchaiya, John H. Morris^*, Steven J. Andrews, Dorothy A. Welch, Alan J. Welch

^*Corresponding author for this work

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

14 Citations (Scopus)

Abstract

The preparation of disubstituted derivatives of [B₃H₈]^- with halogen or pseudo-halogen is reported. Ions studied include [B₃H₆Cl₂]^- (1), [B₃H₆Cl(NCS)]^- (2), [B₃H₆Cl(NCBH₃)]^-, and [B₃H₆Cl(NCBH₂Cl)]^-. N.m.r. parameters show that the ions are fluxional in solution, and ¹¹B^-11B coupling is poorly resolved. The thermal stabilities, and chemical and electrochemical behaviour of representative compounds are described. The molecular structures, illustrated by [B₃H₆Cl₂]^- and [B₃H₆Cl(NCS)]^- relate to that of [B₃H₈]^- with trans substituents. Four molecules of [N(PPh₃)₂][B₃H₆Cl₂] crystallise in space group P2₁/c with a = 10.9552(14), b = 12.840(9), c = 24.236(5) Å, and β = 92.298(13)°. R = 0.0728 for 3 267 data measured at room temperature. The [B₃H₆Cl₂]^- ion has effective C₂ symmetry and markedly asymmetric H bridges. [N(PPh₃)₂][B₃H₆Cl(NCS)] crystallises from CH₂Cl₂ as a 1:1 solvate with Z = 2 in space group P1, with a = 11.2855(22), b = 14.4000(21), c = 15.708(4) Å, α = 120.680(17), β = 109.760(18), and γ = 65.971 (14)° at 185 ± 1 K. An approximate structure solution affords R = 0.1922 for 5 706 diffraction data.

Original language	English
Pages (from-to)	2525-2533
Number of pages	9
Journal	Journal of the Chemical Society, Dalton Transactions
Issue number	11
DOIs	https://doi.org/10.1039/DT9840002525
Publication status	Published - 1984

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General Chemistry

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Arunchaiya, M., Morris, J. H., Andrews, S. J., Welch, D. A., & Welch, A. J. (1984). Preparation, reactions, and nuclear magnetic resonance spectra of disubstituted derivatives of the octahydrotriborate(1-) ion, [B₃H₆XX′]^- (X = Cl, X′ = Cl, NCS, NCBH₃, or NCBH₂Cl); Molecular structure of [B₃H₆Cl₂]^- and partial structure of [B₃H₆Cl(NCS)]^-. Journal of the Chemical Society, Dalton Transactions, (11), 2525-2533. https://doi.org/10.1039/DT9840002525

Arunchaiya, Marisa ; Morris, John H. ; Andrews, Steven J. et al. / Preparation, reactions, and nuclear magnetic resonance spectra of disubstituted derivatives of the octahydrotriborate(1-) ion, [B₃H₆XX′]^- (X = Cl, X′ = Cl, NCS, NCBH₃, or NCBH₂Cl); Molecular structure of [B₃H₆Cl₂]^- and partial structure of [B₃H₆Cl(NCS)]^-. In: Journal of the Chemical Society, Dalton Transactions. 1984 ; No. 11. pp. 2525-2533.

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title = "Preparation, reactions, and nuclear magnetic resonance spectra of disubstituted derivatives of the octahydrotriborate(1-) ion, [B3H6XX′]- (X = Cl, X′ = Cl, NCS, NCBH3, or NCBH2Cl); Molecular structure of [B3H6Cl2]- and partial structure of [B3H6Cl(NCS)]-",

abstract = "The preparation of disubstituted derivatives of [B3H8]- with halogen or pseudo-halogen is reported. Ions studied include [B3H6Cl2]- (1), [B3H6Cl(NCS)]- (2), [B3H6Cl(NCBH3)]-, and [B3H6Cl(NCBH2Cl)]-. N.m.r. parameters show that the ions are fluxional in solution, and 11B-11B coupling is poorly resolved. The thermal stabilities, and chemical and electrochemical behaviour of representative compounds are described. The molecular structures, illustrated by [B3H6Cl2]- and [B3H6Cl(NCS)]- relate to that of [B3H8]- with trans substituents. Four molecules of [N(PPh3)2][B3H6Cl2] crystallise in space group P21/c with a = 10.9552(14), b = 12.840(9), c = 24.236(5) {\AA}, and β = 92.298(13)°. R = 0.0728 for 3 267 data measured at room temperature. The [B3H6Cl2]- ion has effective C2 symmetry and markedly asymmetric H bridges. [N(PPh3)2][B3H6Cl(NCS)] crystallises from CH2Cl2 as a 1:1 solvate with Z = 2 in space group P1, with a = 11.2855(22), b = 14.4000(21), c = 15.708(4) {\AA}, α = 120.680(17), β = 109.760(18), and γ = 65.971 (14)° at 185 ± 1 K. An approximate structure solution affords R = 0.1922 for 5 706 diffraction data.",

author = "Marisa Arunchaiya and Morris, {John H.} and Andrews, {Steven J.} and Welch, {Dorothy A.} and Welch, {Alan J.}",

year = "1984",

doi = "10.1039/DT9840002525",

language = "English",

pages = "2525--2533",

journal = "Journal of the Chemical Society, Dalton Transactions",

issn = "1472-7773",

number = "11",

}

Arunchaiya, M, Morris, JH, Andrews, SJ, Welch, DA & Welch, AJ 1984, 'Preparation, reactions, and nuclear magnetic resonance spectra of disubstituted derivatives of the octahydrotriborate(1-) ion, [B₃H₆XX′]^- (X = Cl, X′ = Cl, NCS, NCBH₃, or NCBH₂Cl); Molecular structure of [B₃H₆Cl₂]^- and partial structure of [B₃H₆Cl(NCS)]^-', Journal of the Chemical Society, Dalton Transactions, no. 11, pp. 2525-2533. https://doi.org/10.1039/DT9840002525

Preparation, reactions, and nuclear magnetic resonance spectra of disubstituted derivatives of the octahydrotriborate(1-) ion, [B₃H₆XX′]^- (X = Cl, X′ = Cl, NCS, NCBH₃, or NCBH₂Cl); Molecular structure of [B₃H₆Cl₂]^- and partial structure of [B₃H₆Cl(NCS)]^-. / Arunchaiya, Marisa; Morris, John H.; Andrews, Steven J. et al.
In: Journal of the Chemical Society, Dalton Transactions, No. 11, 1984, p. 2525-2533.

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

TY - JOUR

T1 - Preparation, reactions, and nuclear magnetic resonance spectra of disubstituted derivatives of the octahydrotriborate(1-) ion, [B3H6XX′]- (X = Cl, X′ = Cl, NCS, NCBH3, or NCBH2Cl); Molecular structure of [B3H6Cl2]- and partial structure of [B3H6Cl(NCS)]-

AU - Arunchaiya, Marisa

AU - Morris, John H.

AU - Andrews, Steven J.

AU - Welch, Dorothy A.

AU - Welch, Alan J.

PY - 1984

Y1 - 1984

N2 - The preparation of disubstituted derivatives of [B3H8]- with halogen or pseudo-halogen is reported. Ions studied include [B3H6Cl2]- (1), [B3H6Cl(NCS)]- (2), [B3H6Cl(NCBH3)]-, and [B3H6Cl(NCBH2Cl)]-. N.m.r. parameters show that the ions are fluxional in solution, and 11B-11B coupling is poorly resolved. The thermal stabilities, and chemical and electrochemical behaviour of representative compounds are described. The molecular structures, illustrated by [B3H6Cl2]- and [B3H6Cl(NCS)]- relate to that of [B3H8]- with trans substituents. Four molecules of [N(PPh3)2][B3H6Cl2] crystallise in space group P21/c with a = 10.9552(14), b = 12.840(9), c = 24.236(5) Å, and β = 92.298(13)°. R = 0.0728 for 3 267 data measured at room temperature. The [B3H6Cl2]- ion has effective C2 symmetry and markedly asymmetric H bridges. [N(PPh3)2][B3H6Cl(NCS)] crystallises from CH2Cl2 as a 1:1 solvate with Z = 2 in space group P1, with a = 11.2855(22), b = 14.4000(21), c = 15.708(4) Å, α = 120.680(17), β = 109.760(18), and γ = 65.971 (14)° at 185 ± 1 K. An approximate structure solution affords R = 0.1922 for 5 706 diffraction data.

AB - The preparation of disubstituted derivatives of [B3H8]- with halogen or pseudo-halogen is reported. Ions studied include [B3H6Cl2]- (1), [B3H6Cl(NCS)]- (2), [B3H6Cl(NCBH3)]-, and [B3H6Cl(NCBH2Cl)]-. N.m.r. parameters show that the ions are fluxional in solution, and 11B-11B coupling is poorly resolved. The thermal stabilities, and chemical and electrochemical behaviour of representative compounds are described. The molecular structures, illustrated by [B3H6Cl2]- and [B3H6Cl(NCS)]- relate to that of [B3H8]- with trans substituents. Four molecules of [N(PPh3)2][B3H6Cl2] crystallise in space group P21/c with a = 10.9552(14), b = 12.840(9), c = 24.236(5) Å, and β = 92.298(13)°. R = 0.0728 for 3 267 data measured at room temperature. The [B3H6Cl2]- ion has effective C2 symmetry and markedly asymmetric H bridges. [N(PPh3)2][B3H6Cl(NCS)] crystallises from CH2Cl2 as a 1:1 solvate with Z = 2 in space group P1, with a = 11.2855(22), b = 14.4000(21), c = 15.708(4) Å, α = 120.680(17), β = 109.760(18), and γ = 65.971 (14)° at 185 ± 1 K. An approximate structure solution affords R = 0.1922 for 5 706 diffraction data.

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DO - 10.1039/DT9840002525

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JO - Journal of the Chemical Society, Dalton Transactions

JF - Journal of the Chemical Society, Dalton Transactions

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Arunchaiya M, Morris JH, Andrews SJ, Welch DA, Welch AJ. Preparation, reactions, and nuclear magnetic resonance spectra of disubstituted derivatives of the octahydrotriborate(1-) ion, [B₃H₆XX′]^- (X = Cl, X′ = Cl, NCS, NCBH₃, or NCBH₂Cl); Molecular structure of [B₃H₆Cl₂]^- and partial structure of [B₃H₆Cl(NCS)]^-. Journal of the Chemical Society, Dalton Transactions. 1984;(11):2525-2533. doi: 10.1039/DT9840002525