Ultrasonic assisted synthesis of Zn(II) 2D coordination polymer and 4-nitroaniline photoluminescence sensing manifestation through DFT studies

Riasat, Madiha; Sharif, Shahzad; Khurshid, Shazia; Farid, Sidra; Bano, Rehana; Gilani, Mazhar Amjad; Şahın, Onur; Perveen, Fouzia

doi:10.1080/00958972.2022.2046268

Journal of Coordination Chemistry

2022

DOI: 10.1080/00958972.2022.2046268

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Ultrasonic assisted synthesis of Zn(II) 2D coordination polymer and 4-nitroaniline photoluminescence sensing manifestation through DFT studies

Madiha Riasat

Shahzad Sharif

Shazia Khurshid

et al.

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2024

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2D Cadmium(II) Coordination Polymer Based on 2,5-Furandicarboxylate and 1,4-Bis(1H-imidazol-1-yl)butane Linkers: Synthesis, Characterization and DFT Studies

Demir,

Dikmen,

Erer

2024

J Inorg Organomet Polym

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As a result of hydrothermal synthesis of 2,5-furandicarboxylate (fdc2−), Cd(II) ion and bis(imidazole) derivative 1,4-bis(1H-imidazole-1-yl)butane (bib) ligand, a novel two-dimensional Cd(II) coordination polymer {[Cd(µ-fdc)(H2O)(µ-bib)]·H2O}n (1) was synthesized. According to the results of single crystal X-ray diffraction analysis, the complex was crystallized in the monoclinic system and in the P21/n space group. In addition, the thermal, luminescence and optical properties of the complex were investigated. The complex emits a maximum at 509 nm and also shows semi-conductor properties according to the solid-state UV–Vis diffuse reflection spectra results. To determine chemical structure, vibrational properties and some chemical properties of complex, theoretical calculations were carried out. All theoretical computations were performed using the DFT method at the B3LYP/LanL2DZ level of theory. The obtained experimental results were in good agreement with theoretical results. To calculate HOMO–LUMO energy values, which provided insights into the material's electronic properties, DFT calculations were used. Detailed information about the local and global chemical activity, as well as the electrophilic and nucleophilic nature of the complex, were also obtained.

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2D Cadmium(II) Coordination Polymer Based on 2,5-Furandicarboxylate and 1,4-Bis(1H-imidazol-1-yl)butane Linkers: Synthesis, Characterization and DFT Studies

Demir,

Dikmen,

Erer

2024

J Inorg Organomet Polym

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show abstract

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Ultrasonic assisted synthesis of Zn(II) 2D coordination polymer and 4-nitroaniline photoluminescence sensing manifestation through DFT studies

Cited by 1 publication

References 81 publications

2D Cadmium(II) Coordination Polymer Based on 2,5-Furandicarboxylate and 1,4-Bis(1H-imidazol-1-yl)butane Linkers: Synthesis, Characterization and DFT Studies

2D Cadmium(II) Coordination Polymer Based on 2,5-Furandicarboxylate and 1,4-Bis(1H-imidazol-1-yl)butane Linkers: Synthesis, Characterization and DFT Studies

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