Aghaee, Maryam and Mohammadi, Khosro and Hayati, Payam and Ahmadi, Sara and Yazdian, Fatemeh and Gutierrez, Angel and Rouhani, Shamila and Msagati, Titus A. M. (2021) Morphology design and control of a novel 3D potassium metal-organic coordination polymer compound: Crystallography, DFT, thermal, and biological studies. Journal of Molecular Structure, 1228. ISSN 0022-2860, DOI https://doi.org/10.1016/j.molstruc.2020.129434.
Full text not available from this repository.Abstract
Nano-structures of K metal-organic coordination polymer compound (K-MOCP) K2H2BTC](n) (BTC4- = 1,2,4,5-benzenetetracarboxylate ion) (3D), were synthesized using two various experimental methods including laying and sonochemical irradiation. Independent of the strategy used for K-MOCP, a similar crystalline phase was achieved. Scanning electron microscopy (SEM), powder X-ray diffraction (PXRD), and FT-IR and energy-dispersive X-ray (EDX) spectroscopy were employed for the characterization of all the materials. Single-crystal X-Ray diffraction (SCXRD) analyses of K-MOCP show that K+ ions are 8-coordinated. We have also extensively analyzed the impact of various factors, including the power of ultrasounds (US), reactant concentrations and, temperature requirements to reach a controlled morphological and particle sizes. Additionally, the geometry of the K-MOCP was optimized using the density functional theory to rationalize the electronic properties of K-MOCP. Finally, the antibacterial properties of K-MOCP were studied. (C) 2020 Elsevier B.V. All rights reserved.
| Item Type: | Article |
|---|---|
| Funders: | Persian Gulf University |
| Uncontrolled Keywords: | Metal-organic coordination polymer; Potassium; Ultrasound irradiation; Morphology; DFT; Antibacterial |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Faculty of Science > Department of Chemistry |
| Depositing User: | Ms Zaharah Ramly |
| Date Deposited: | 27 Jun 2022 06:29 |
| Last Modified: | 27 Jun 2022 06:29 |
| URI: | http://eprints.um.edu.my/id/eprint/34037 |
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