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Influence of crystal structure and composition on optical and electronic properties of pyridinium-based bismuth iodide complexes

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dc.contributor.author Abdi, G
dc.contributor.author Gryl, M
dc.contributor.author Sławek, A
dc.contributor.author Kowalewska, E
dc.contributor.author Mazur, T
dc.contributor.author Podborska, A
dc.contributor.author Mech, K
dc.contributor.author Zawal, P
dc.contributor.author Pritam, A
dc.contributor.author Kmita, A
dc.contributor.author Alluhaibi, L
dc.contributor.author Maximenko, A
dc.contributor.author Vijayakumar, C
dc.contributor.author Szaciłowski, K
dc.date.accessioned 2023-11-28T10:31:21Z
dc.date.available 2023-11-28T10:31:21Z
dc.date.issued 2023-09-28
dc.identifier.citation Dalton Transactions; 52(40):14649-14662 en_US
dc.identifier.uri https://pubs.rsc.org/en/content/articlelanding/2023/DT/D3DT02910G
dc.identifier.uri http://localhost:8080/xmlui/handle/123456789/4615
dc.description.abstract This study investigates the impacts of structure and composition on the optical and electronic properties of a series of pyridinium-based bismuth iodide complexes. Organic substrates with various functional groups, such as 4-aminopyridine (4-Ampy), 4-methylpyridine (4-Mepy), 4-dimethylaminopyridine (4-Dmapy), and 4-pyridinecarbonitrile (4-CNpy) with different electron-donating and electron-withdrawing groups at the para position of the pyridine ring were employed. Crystallographic analysis reveals various bismuth iodide structures, including 1D chains and discrete 0D motifs. The optical band gap of these materials, identified via diffuse reflectance spectroscopy (DRS) and verified with density functional theory (DFT) calculations, is influenced by the crystal packing and stabilising interactions. Through a comprehensive analysis, including Hirshfeld surface (HS) and void assessment, the study underscores the influence of noncovalent intermolecular interactions on crystal packing. Spectroscopic evaluations provide insights into electronic interactions, elucidating the role of electron donor and acceptor substituents within the lattice. Thermogravimetric differential thermal analysis (TG–DTA) indicates structural stability up to 250 °C. Linear sweep voltammetry (LSV) reveals significant conductivity in the range of 10–20 mS per pixel at 298.15 K. X-ray absorption spectroscopy (XAS) at the Bi L3 edge indicates a similar oxidation state and electronic environment across all samples, underscoring the role of bismuth centres surrounded by iodides. en_US
dc.language.iso en en_US
dc.publisher Royal Society of Chemistry en_US
dc.title Influence of crystal structure and composition on optical and electronic properties of pyridinium-based bismuth iodide complexes en_US
dc.type Article en_US


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  • 2023
    Research articles authored by NIIST researchers published in 2023

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