Pentaborate(1-) salts templated by substituted pyrrolidinium cations: synthesis, structural characterization, and modelling of solid-state H-bond interactions by DFT calculations

M.A. Beckett; S. Coles; R.A. Davies; P. Horton; C.L. Jones

doi:10.1039/C5DT00248F

Pentaborate(1-) salts templated by substituted pyrrolidinium cations: synthesis, structural characterization, and modelling of solid-state H-bond interactions by DFT calculations

M.A. Beckett
, S. Coles
, R.A. Davies
, P. Horton
, C.L. Jones

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

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Abstract

The synthesis and characterization of a series of pentaborate(1−) salts of substituted pyrrolidinium cations [C4H8NH2][B5O6(OH)4] (1), [C4H8NMe2][B5O6(OH)4] (2) [C4H8NMeH][B5O6(OH)4] (3), [(2-CH2OH)C4H7NH2][B5O6(OH)4] (4) is reported. All compounds were characterized by single-crystal XRD studies with 3 (1/2CH3COCH3) and 4 (1/2H2O) solvated. TGA/DSC analysis of the pentaborates 1–4 showed that they thermally decomposed in air at 800 °C to 2.5 B2O3, in a 2 step process involving dehydration (

Original language	English
Pages (from-to)	7032-7040
Journal	Dalton Transactions
Volume	44
DOIs	https://doi.org/10.1039/C5DT00248F
Publication status	Published - 10 Mar 2015

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title = "Pentaborate(1-) salts templated by substituted pyrrolidinium cations: synthesis, structural characterization, and modelling of solid-state H-bond interactions by DFT calculations",

abstract = "The synthesis and characterization of a series of pentaborate(1−) salts of substituted pyrrolidinium cations [C4H8NH2][B5O6(OH)4] (1), [C4H8NMe2][B5O6(OH)4] (2) [C4H8NMeH][B5O6(OH)4] (3), [(2-CH2OH)C4H7NH2][B5O6(OH)4] (4) is reported. All compounds were characterized by single-crystal XRD studies with 3 (1/2CH3COCH3) and 4 (1/2H2O) solvated. TGA/DSC analysis of the pentaborates 1–4 showed that they thermally decomposed in air at 800 °C to 2.5 B2O3, in a 2 step process involving dehydration (",

author = "M.A. Beckett and S. Coles and R.A. Davies and P. Horton and C.L. Jones",

year = "2015",

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doi = "10.1039/C5DT00248F",

language = "English",

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T1 - Pentaborate(1-) salts templated by substituted pyrrolidinium cations: synthesis, structural characterization, and modelling of solid-state H-bond interactions by DFT calculations

AU - Beckett, M.A.

AU - Coles, S.

AU - Davies, R.A.

AU - Horton, P.

AU - Jones, C.L.

PY - 2015/3/10

Y1 - 2015/3/10

N2 - The synthesis and characterization of a series of pentaborate(1−) salts of substituted pyrrolidinium cations [C4H8NH2][B5O6(OH)4] (1), [C4H8NMe2][B5O6(OH)4] (2) [C4H8NMeH][B5O6(OH)4] (3), [(2-CH2OH)C4H7NH2][B5O6(OH)4] (4) is reported. All compounds were characterized by single-crystal XRD studies with 3 (1/2CH3COCH3) and 4 (1/2H2O) solvated. TGA/DSC analysis of the pentaborates 1–4 showed that they thermally decomposed in air at 800 °C to 2.5 B2O3, in a 2 step process involving dehydration (

AB - The synthesis and characterization of a series of pentaborate(1−) salts of substituted pyrrolidinium cations [C4H8NH2][B5O6(OH)4] (1), [C4H8NMe2][B5O6(OH)4] (2) [C4H8NMeH][B5O6(OH)4] (3), [(2-CH2OH)C4H7NH2][B5O6(OH)4] (4) is reported. All compounds were characterized by single-crystal XRD studies with 3 (1/2CH3COCH3) and 4 (1/2H2O) solvated. TGA/DSC analysis of the pentaborates 1–4 showed that they thermally decomposed in air at 800 °C to 2.5 B2O3, in a 2 step process involving dehydration (

U2 - 10.1039/C5DT00248F

DO - 10.1039/C5DT00248F

M3 - Article

SN - 1477-9226

VL - 44

SP - 7032

EP - 7040

JO - Dalton Transactions

JF - Dalton Transactions

ER -

Pentaborate(1-) salts templated by substituted pyrrolidinium cations: synthesis, structural characterization, and modelling of solid-state H-bond interactions by DFT calculations

Abstract

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