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Synthesis and characterization of a tertiary amine:boric acid (1:1) co-crystal and a neutral zwitterionic diamine pentaboron adduct. / Altahan, Mohammed; Beckett, Michael; Coles, simon et al.
Yn: Inorganica Chimica Acta, Cyfrol 539, 120998, 01.09.2022.

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Altahan M, Beckett M, Coles S, Horton P, Jones C. Synthesis and characterization of a tertiary amine:boric acid (1:1) co-crystal and a neutral zwitterionic diamine pentaboron adduct. Inorganica Chimica Acta. 2022 Medi 1;539:120998. Epub 2022 Mai 2. doi: 10.1016/j.ica.2022.120998

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TY - JOUR

T1 - Synthesis and characterization of a tertiary amine:boric acid (1:1) co-crystal and a neutral zwitterionic diamine pentaboron adduct

AU - Altahan, Mohammed

AU - Beckett, Michael

AU - Coles, simon

AU - Horton, Peter

AU - Jones, Charlotte

PY - 2022/9/1

Y1 - 2022/9/1

N2 - The syntheses of the 4,4’-trimethylenebis(N-methylpiperidine):boric acid (1:1) co-crystal, 4,4’-(1-MeNC5H9)2(CH2)3.B(OH)3 (1), and a zwitterionic tetrahydroxidohexaoxidopentaboron adduct, [B5O6(OH)4(N-NH2CH2CH2NHEt2).H2O (2), (NH2CH2CH2NEt2 = deen) from appropriate combinatorial libraries primed with B(OH)3, are reported together with their spectroscopic (NMR, IR) and single-crystal XRD characterization data. Solid-state H-bond interactions are the likely strong drivers for their formation, and these are described in detail. H-bond networks present in co-crystal 1 include C22(16), R22(8), and R66(36) whilst zwitterionic pentaboron derivative 2 has three R22(8) intermolecular H-bond interactions and the Et2NH- group is involved in a S(7) intramolecular H-bond. Thermal (TGA/DSC) data are also reported for 1 which thermally decomposes to B2O3, in a multistage process: dehydration (60-70 oC) and oxidation and further dehydration (90-700 oC).

AB - The syntheses of the 4,4’-trimethylenebis(N-methylpiperidine):boric acid (1:1) co-crystal, 4,4’-(1-MeNC5H9)2(CH2)3.B(OH)3 (1), and a zwitterionic tetrahydroxidohexaoxidopentaboron adduct, [B5O6(OH)4(N-NH2CH2CH2NHEt2).H2O (2), (NH2CH2CH2NEt2 = deen) from appropriate combinatorial libraries primed with B(OH)3, are reported together with their spectroscopic (NMR, IR) and single-crystal XRD characterization data. Solid-state H-bond interactions are the likely strong drivers for their formation, and these are described in detail. H-bond networks present in co-crystal 1 include C22(16), R22(8), and R66(36) whilst zwitterionic pentaboron derivative 2 has three R22(8) intermolecular H-bond interactions and the Et2NH- group is involved in a S(7) intramolecular H-bond. Thermal (TGA/DSC) data are also reported for 1 which thermally decomposes to B2O3, in a multistage process: dehydration (60-70 oC) and oxidation and further dehydration (90-700 oC).

U2 - 10.1016/j.ica.2022.120998

DO - 10.1016/j.ica.2022.120998

M3 - Article

VL - 539

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

M1 - 120998

ER -