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Synthesis and X-ray structural studies of pentaborate(1−) salts containing substituted imidazolium cations

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Synthesis and X-ray structural studies of pentaborate(1−) salts containing substituted imidazolium cations. / Beckett, M.A.; Horton, P.N.; Hursthouse, M.B. et al.
In: Polyhedron, Vol. 77, 19.04.2014, p. 96-102.

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

HarvardHarvard

Beckett, MA, Horton, PN, Hursthouse, MB & Timmis, JL 2014, 'Synthesis and X-ray structural studies of pentaborate(1−) salts containing substituted imidazolium cations', Polyhedron, vol. 77, pp. 96-102. https://doi.org/10.1016/j.poly.2014.04.019

APA

Beckett, M. A., Horton, P. N., Hursthouse, M. B., & Timmis, J. L. (2014). Synthesis and X-ray structural studies of pentaborate(1−) salts containing substituted imidazolium cations. Polyhedron, 77, 96-102. https://doi.org/10.1016/j.poly.2014.04.019

CBE

Beckett MA, Horton PN, Hursthouse MB, Timmis JL. 2014. Synthesis and X-ray structural studies of pentaborate(1−) salts containing substituted imidazolium cations. Polyhedron. 77:96-102. https://doi.org/10.1016/j.poly.2014.04.019

MLA

Beckett, M.A. et al. "Synthesis and X-ray structural studies of pentaborate(1−) salts containing substituted imidazolium cations". Polyhedron. 2014, 77. 96-102. https://doi.org/10.1016/j.poly.2014.04.019

VancouverVancouver

Beckett MA, Horton PN, Hursthouse MB, Timmis JL. Synthesis and X-ray structural studies of pentaborate(1−) salts containing substituted imidazolium cations. Polyhedron. 2014 Apr 19;77:96-102. doi: 10.1016/j.poly.2014.04.019

Author

Beckett, M.A. ; Horton, P.N. ; Hursthouse, M.B. et al. / Synthesis and X-ray structural studies of pentaborate(1−) salts containing substituted imidazolium cations. In: Polyhedron. 2014 ; Vol. 77. pp. 96-102.

RIS

TY - JOUR

T1 - Synthesis and X-ray structural studies of pentaborate(1−) salts containing substituted imidazolium cations

AU - Beckett, M.A.

AU - Horton, P.N.

AU - Hursthouse, M.B.

AU - Timmis, J.L.

PY - 2014/4/19

Y1 - 2014/4/19

N2 - The preparation of [NMC][B5O6(OH)4] {NMC = 2-MeC3N2H4 (3),1-MeC3N2H4 (4), 4-MeC3N2H4 (5), 1,2-Me2C3N2H3 (6), 1,2,3-Me3C3N2H2 (7), 1-EtC3N2H4 (8), 2-EtC3N2H4 (9), 2-Et-4-MeC3N2H3 (10) 1-Et-3-MeC3N2H3 (11) and 2-iPrC3N2H4 (12)} salts are reported. Compounds were characterised by spectroscopy (NMR and IR) and by single crystal XRD (6, 7, 9, 10, 12) studies. All structures show extensive H-bonded networks and 7 displays the first example of reciprocal paired αααα anion–anion interactions. These are facilitated by the pentaborate boroxole rings being significantly distorted (boat) from the near-planar arrangements more commonly observed. The related imidazolinium salt, [2-MeC3N2H6][B5O6(OH)4] (13), has also been characterised by XRD studies. Compound 13 is isostructural with 3. Thermal properties (TGA/DSC) indicate decomposition to B2O3via [NMC][(B5O8)n] intermediates.

AB - The preparation of [NMC][B5O6(OH)4] {NMC = 2-MeC3N2H4 (3),1-MeC3N2H4 (4), 4-MeC3N2H4 (5), 1,2-Me2C3N2H3 (6), 1,2,3-Me3C3N2H2 (7), 1-EtC3N2H4 (8), 2-EtC3N2H4 (9), 2-Et-4-MeC3N2H3 (10) 1-Et-3-MeC3N2H3 (11) and 2-iPrC3N2H4 (12)} salts are reported. Compounds were characterised by spectroscopy (NMR and IR) and by single crystal XRD (6, 7, 9, 10, 12) studies. All structures show extensive H-bonded networks and 7 displays the first example of reciprocal paired αααα anion–anion interactions. These are facilitated by the pentaborate boroxole rings being significantly distorted (boat) from the near-planar arrangements more commonly observed. The related imidazolinium salt, [2-MeC3N2H6][B5O6(OH)4] (13), has also been characterised by XRD studies. Compound 13 is isostructural with 3. Thermal properties (TGA/DSC) indicate decomposition to B2O3via [NMC][(B5O8)n] intermediates.

U2 - 10.1016/j.poly.2014.04.019

DO - 10.1016/j.poly.2014.04.019

M3 - Article

VL - 77

SP - 96

EP - 102

JO - Polyhedron

JF - Polyhedron

SN - 0277-5387

ER -