Crystal structure of (C9H17N2)3[Bi2I9]

James, Zoe; Cai, Yunhe; Vaqueiro, Paz

doi:10.1107/s2056989021007799

Acta Cryst E

2021

DOI: 10.1107/s2056989021007799

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Crystal structure of (C₉H₁₇N₂)₃[Bi₂I₉]

Zoe James¹,

Yunhe Cai²,

Paz Vaqueiro³

Abstract: Single crystals of tris(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium) tri-μ2-iodido-bis[triiodidobismuth(III)], (C9H17N2)3[Bi2I9], were prepared by a solvothermal method, heating a mixture of BiI3, KI, 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and ethanol at 443 K for six days. The asymmetric unit of the title compound, which crystallizes in the monoclinic space group P21/c, contains one [Bi2I9]3− anion and three protonated DBUH+ moieties. The dinuclear [Bi2I9]3− anions, which are composed of face-shar… Show more

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Cited by 3 publications

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Synthesis and Characterisation of Iodobismuthates Containing N-substituted 1,4-Diazabicyclo[2.2.2]octane

2022

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Two new hybrid iodobismuthates, [C8H17N2][C10H22N2][BiI6] (1) and [C6H12N2]0.5[C10H22N2]3.5[Bi2I10][Bi2I9] (2), have been prepared by solvothermal synthesis in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) and ethanol. Both compounds have been characterized by single-crystal and powder X-ray diffraction, infrared and UV–Vis spectroscopies and thermogravimetric analysis. Structure determination reveals that the crystal structure of 1 contains mononuclear [BiI6]3− anions, whilst 2 contains an unusual combination of dinuclear anions, [Bi2I9]3− and [Bi2I10]4−, consisting of two edge- and two face-sharing [BiI6]3− octahedra, respectively. Mono- and diethylated derivatives of DABCO, which are formed in situ under solvothermal conditions, act as countercations and are located between the discrete anions. The optical band gaps of 1 and 2, which are 2.29(1) and 2.03(2) eV respectively, are consistent with the red color of these compounds, and are comparable to the band gaps measured for other iodobismuthates containing discrete anions. Graphical Abstract Two new iodobismuthates, [C8H17N2][C10H22N2][BiI6] (1) and [C6H12N2]0.5[C10H22N2]3.5[Bi2I10][Bi2I9] (2), have been synthesized under solvothermal conditions, and their crystal structures determined by single-crystal X-ray diffraction.

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Synthesis and Characterisation of Iodobismuthates Containing N-substituted 1,4-Diazabicyclo[2.2.2]octane

2022

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Structural characterisation, BFDH morphology, DSC, infrared and Raman studies of the disordered tetramethylammonium nonachlorodibismuthate [(CH3)4N]3Bi2Cl9

Ouasri,

Lambarki,

Fakherddine

et al. 2024

Polyhedron

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Recent advances on structural, thermal, vibrational, optical, phase transitions, and catalysis properties of alkylenediammonium halogenometallate materials (Metal: Bi, Sb, Halogen: Cl, Br, I)

Ouasri

2022

Reviews in Inorganic Chemistry

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This paper aims to review recent advances on synthesis, crystal structures, thermal, spectroscopic, phase transitions, optical, dielectric, and catalysis properties of hydrate and anhydrous alkylenediammonium halogenometallates materials (Metal: Bi, Sb, Halogen: Cl, Br, I). These hybrid materials present rich structural diversities based on octahedra forming infinite zero dimensional, 1-dimensional chains, 2-dimensional layers, discrete bioctahedra, and discrete tetramer units. The effect, contribution and importance of hydrogen bonding N–H … X (X: Cl, Br, I) are reviewed in terms of solid state relationship. Particularly, a comparative study is made on hydrate and anyhdrous aliphatic chlorobismuthates with alkylenediammonium +NH3(CH2) n NH3 + based on structural data and V/Z variation with (CH2) n chains (n = 2–8, 12), and variation of BiCl6 3− Raman frequencies modes versus (CH2) n chains (n = 3–8). Hydrate salts with (n = 3, 12) consist of isolated BiCl6 3− anions and two water molecules, against others ones with isolated anionic chains [BiCl5 2−] n or Bi2Cl10 4− dimers, formed by distorted octahedra BiCl6 3− sharing corners, vices or edges. The reviewed optical and electronic band gaps suggested interesting compounds with band gaps (1.85–2.4 eV), as suitable materials in optoelectronic properties, photoactive layer in solution-processed photovoltaics, and bio-imaging or photovoltaic applications. It was concluded that iodobismuthate salts have generally the lowest bands gap, compared to that of bromo and chlorobismuthate slats. Catalysis proprieties are reviewed n fast (RhB) degradation under dark conditions for (C4N2H7)4Bi2Cl10, (C5H9N2)BiI4, and {(H-BPA)4·[(BiI6)I13]·2I3} n , and in organic salts synthesis under solvent-free conditions. Herein NH3(CH2) n NH3BiCl5 (n = 5–7) salts were used as highly efficient catalysts, which is a novel tendency in chlorobismuthate researchs in the green chemistry field.

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Crystal structure of (C₉H₁₇N₂)₃[Bi₂I₉]

Cited by 3 publications

References 20 publications

Synthesis and Characterisation of Iodobismuthates Containing N-substituted 1,4-Diazabicyclo[2.2.2]octane

Synthesis and Characterisation of Iodobismuthates Containing N-substituted 1,4-Diazabicyclo[2.2.2]octane

Structural characterisation, BFDH morphology, DSC, infrared and Raman studies of the disordered tetramethylammonium nonachlorodibismuthate [(CH3)4N]3Bi2Cl9

Recent advances on structural, thermal, vibrational, optical, phase transitions, and catalysis properties of alkylenediammonium halogenometallate materials (Metal: Bi, Sb, Halogen: Cl, Br, I)

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