A new Hg(II) hybrid compound (C6H9N2)[Hg6Cl13]·H2O elaboration, crystal structure, spectroscopic, thermal, and DFT theoretical calculations

Ayari, Chaima; Alotaibi, Abdullah A.; Alotaibi, Khalid M.; Ferretti, Valeria; Kaminsky, Werner; Lefèbvre, Frédéric; Nasr, C. Ben; Mrad, Mohamed Habib

doi:10.1007/s11696-021-02002-1

Cited by 7 publications

(3 citation statements)

References 70 publications

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“…Therefore, this value shows the trigonal pyramid geometry of [HgCl 4 ] 2− anions. Indeed, these results correspond to those observed in comparable compounds[39][40][41][42][43][44].…”

supporting

confidence: 90%

Synthesis of New Homopiperazine-1.4-Diium Tetrachloridromercurate (II) Monohydrate (C5H14N2)[HgCl4]·H2O, Crystal Structure, Hirshfeld Surface, Spectroscopy, Thermal Analysis, Antioxidant Activity, Electric and Dielectric Behavior

et al. 2022

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Using acid–base assays and simple slow evaporation method at ambient temperature, we were successful in producing a novel salt with the chemical formula (C5H14N2)[HgCl4]·H2O. According to single-crystal X-ray diffraction data, the crystal packing was regulated by H-bonds and by Coulomb interactions (also called electrostatic interactions) between distinct entities, which formed a 3D network. The 2D fingerprint plots and the Hirshfeld surface were utilized to examine the effect of intermolecular interactions. FTIR spectroscopy, PL spectroscopy, thermal analysis, and electrical conductivity experiments were also carried out, and the antioxidant activity was tested.

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“…Therefore, this value shows the trigonal pyramid geometry of [HgCl 4 ] 2− anions. Indeed, these results correspond to those observed in comparable compounds[39][40][41][42][43][44].…”

supporting

confidence: 90%

Synthesis of New Homopiperazine-1.4-Diium Tetrachloridromercurate (II) Monohydrate (C5H14N2)[HgCl4]·H2O, Crystal Structure, Hirshfeld Surface, Spectroscopy, Thermal Analysis, Antioxidant Activity, Electric and Dielectric Behavior

et al. 2022

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“…focusing on photoluminescence, letting them to be adapted as light sensors, biological imaging probes, and electrochemical machines [11][12][13][14][15][16][17][18][19][20][21]. The interaction types X-H…A which are classified as non-covalent, metallophilic, halogen-halogen, X-H…π, π…π, lead to mixing two entities (organic and inorganic parts) together in a single hybrid derivative, resulting in structure stability [22][23][24][25][26][27][28][29][30][31][32][33].…”

Section: Experimental Part 21 Chemical Preparationmentioning

confidence: 99%

“…. π, lead to mixing two entities (organic and inorganic parts) together in a single hybrid derivative, resulting in structure stability [22][23][24][25][26][27][28][29][30][31][32][33].…”

Section: Introductionmentioning

confidence: 99%

A New Zn(II) Metal Hybrid Material of 5-Nitrobenzimidazolium Organic Cation (C7H6N3O2)2[ZnCl4]: Elaboration, Structure, Hirshfeld Surface, Spectroscopic, Molecular Docking Analysis, Electric and Dielectric Properties

et al. 2022

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The slow solvent evaporation approach was used to create a single crystal of (C7H6N3O2)2[ZnCl4] at room temperature. Our compound has been investigated by single-crystal XRD which declares that the complex crystallizes in the monoclinic crystallographic system with the P21/c as a space group. The molecular arrangement of the compound can be described by slightly distorted tetrahedral ZnCl42− anionic entities and 5-nitrobenzimidazolium as cations, linked together by different non-covalent interaction types (H-bonds, Cl…Cl, π…π and C–H…π). Hirshfeld’s surface study allows us to identify that the dominant contacts in the crystal building are H…Cl/Cl…H contacts (37.3%). FT-IR method was used to identify the different groups in (C7H6N3O2)2[ZnCl4]. Furthermore, impedance spectroscopy analysis in 393 ≤ T ≤ 438 K shows that the temperature dependence of DC conductivity follows Arrhenius’ law. The frequency–temperature dependence of AC conductivity for the studied sample shows one region (Ea = 2.75 eV). In order to determine modes of interactions of compound with double stranded DNA, molecular docking simulations were performed at molecular level.

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New Hybrid Material’s Structure, Electric-Dielectric Properties, Spectroscopic Analysis, DNA Interactions, and Antibacterial Application of Bis-(5-nitrobenzimidzolium) Tetrachlorozincate Monohydrate

et al. 2023

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A new Hg(II) hybrid compound (C6H9N2)[Hg6Cl13]·H2O elaboration, crystal structure, spectroscopic, thermal, and DFT theoretical calculations

Cited by 7 publications

References 70 publications

Synthesis of New Homopiperazine-1.4-Diium Tetrachloridromercurate (II) Monohydrate (C5H14N2)[HgCl4]·H2O, Crystal Structure, Hirshfeld Surface, Spectroscopy, Thermal Analysis, Antioxidant Activity, Electric and Dielectric Behavior

Synthesis of New Homopiperazine-1.4-Diium Tetrachloridromercurate (II) Monohydrate (C5H14N2)[HgCl4]·H2O, Crystal Structure, Hirshfeld Surface, Spectroscopy, Thermal Analysis, Antioxidant Activity, Electric and Dielectric Behavior

A New Zn(II) Metal Hybrid Material of 5-Nitrobenzimidazolium Organic Cation (C7H6N3O2)2[ZnCl4]: Elaboration, Structure, Hirshfeld Surface, Spectroscopic, Molecular Docking Analysis, Electric and Dielectric Properties

New Hybrid Material’s Structure, Electric-Dielectric Properties, Spectroscopic Analysis, DNA Interactions, and Antibacterial Application of Bis-(5-nitrobenzimidzolium) Tetrachlorozincate Monohydrate

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