Crystal structure, vibrational and optical properties of a new Bi(III) halide complex: [C6H16N2]5Bi2Br10(BiBr6)2·2H2O

Essid, Manel; Aloui, Zouhaier; Ferretti, Valeria; Lefèbvre, Frédéric; Nasr, C. Ben

doi:10.1016/j.ica.2017.06.023

Cited by 10 publications

(3 citation statements)

References 30 publications

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“…3− octahedron shows a slight distortion; there are three shorter bonds in the range of 2.78-2.81 Å and three longer bonds at 2.85, 2.91, and 3.01 Å (Table 1). The distortion is not severe and is less pronounced than in mononuclear bromobismuthates with organic cations [32,38,39]. However, comparisons between all-inorganic bromobismuthates and small organic cations [40] show that the latter feature almost undistorted BiBr 6 3− anions; for instance, the range of Bi-Br bond distances in Cs 3 BiBr 6 is very narrow: 2.83-2.85 Å [28].…”

Section: Resultsmentioning

confidence: 93%

Molecular and Supramolecular Structure of a New Luminescent Hybrid Compound: (C5N2H14)2[BiBr6]Br·H2O

et al. 2022

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The reaction of homopiperazine, C5N2H12, with BiBr3 in strong hydrobromic acid affords a new organic-inorganic hybrid (C5N2H14)2[BiBr6]Br·H2O. It crystallizes in the orthorhombic space group, Pbca, with unit cell dimensions of a = 15.0775 (2), b = 15.7569 (2), and c = 20.7881 (4) Å, and eight formula units per unit cell. The crystal structure features slightly distorted octahedral BiBr63− and monoatomic Br− anions in the inorganic substructure and C5N2H142+ dications and adjacent water molecules in the organic substructure. Various weak interactions that include (N)H···Br, (N)H···O, and (O)H···Br hydrogen bonds ensure the assembling of the structural moieties into a 3D supramolecular structure. (C5N2H14)2[BiBr6]Br·H2O shows two emission bands in the photoluminescence spectrum, a rather narrow deep-blue PL at 432 nm, and a broadband red PL centered at 650 nm. Their nature and relations to the crystal structure are discussed in this paper.

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Section: Resultsmentioning

confidence: 93%

Molecular and Supramolecular Structure of a New Luminescent Hybrid Compound: (C5N2H14)2[BiBr6]Br·H2O

et al. 2022

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“…The highest emission wavelength was observed in complex 2 , which probably due to hydrogen bonding interaction. [ 47 ]…”

Section: Resultsmentioning

confidence: 99%

“…The highest emission wavelength was observed in complex 2, which probably due to hydrogen bonding interaction. [47] In order to study the influence of disparate solvents on emission spectra of Bi(III) complexes, the fluorescence properties for both complexes were surveyed in different solvents. Measurement results were shown in Figure 9; the right side was the normalized fluorescence spectra.…”

Section: Fluorescence Spectramentioning

confidence: 99%

Two mono‐ and dinuclear Bi(III) complexes combined with crystallographic, spectroscopic, and antibacterial activities, MEP/HSA, and TD/DFT calculations

Chai

Zhang

2022

Applied Organom Chemis

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Two mono‐ and dinuclear Bi(III) complexes, [Bi(L)2(NO3)2]·NO3 (1) and [Bi2(L)2Cl8] (2) (L = (2‐(2‐pyridyl)‐4‐methyl‐1,2‐dihydroquinazoline‐N3‐oxide), were obtained via complexation of L with Bi(III) nitrate pentahydrate and Bi(III) chloride. L and both complexes were characterized by elemental analyses and spectroscopic methods including FT‐IR, UV–Vis, and fluorescence spectroscopy. Specifically, it clearly manifested that both complexes had good fluorescence emission and showed different fluorescence behaviors in diverse solvents. Both Bi(III) complexes were further determined by X‐ray crystallography, and it was found that the ratio of ligand to metal was 2:1 in 1, whereas 2 was 1:1. Their coordination geometric configurations were significantly different, such as octa‐coordinated complex 1 formed an infinite 1‐D chain‐like, funnel‐shaped 2‐D network, and ladder‐like 3‐D supramolecular framework, whereas hexa‐coordinated complex 2 with a binuclear structure exhibited two slightly distorted octahedral geometric structures; meanwhile, symmetric units came into being an infinite 2‐D layer even and meter‐shaped 3‐D supramolecular skeleton. The optimal geometries, frontier molecular orbital energies, and molecular electrostatic potential diagrams of both complexes were calculated using DFT/B3LYP. The electronic distribution of HOMO‐LUMO rationalized the results of UV–Vis spectra with the help of TD‐DFT calculations. Furthermore, all samples demonstrated excellent antibacterial activities against Escherichia coli and Staphylococcus aureus. In addition, non‐covalent interactions of complexes and their contributions were quantified with Hirshfeld surfaces using CrystalExplorer17 program.

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Hirshfeld surface, RMN study, optical properties and dielectric behavior of tetrabutylphosphonium tetrachloroantimonate(III) hybrid

et al. 2021

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Crystal structure, vibrational and optical properties of a new Bi(III) halide complex: [C6H16N2]5Bi2Br10(BiBr6)2·2H2O

Cited by 10 publications

References 30 publications

Molecular and Supramolecular Structure of a New Luminescent Hybrid Compound: (C5N2H14)2[BiBr6]Br·H2O

Molecular and Supramolecular Structure of a New Luminescent Hybrid Compound: (C5N2H14)2[BiBr6]Br·H2O

Two mono‐ and dinuclear Bi(III) complexes combined with crystallographic, spectroscopic, and antibacterial activities, MEP/HSA, and TD/DFT calculations

Hirshfeld surface, RMN study, optical properties and dielectric behavior of tetrabutylphosphonium tetrachloroantimonate(III) hybrid

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