Achmad Wisnu Adi, Riyanto (2022) Selectivity Study of Derivate 15-Crown-5 for Heavy Metals Extraction. S1 thesis, Universitas Mataram.
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Abstract
The capability of benzo-15-crown-5 ether to form complexes with some heavy metals cation (Cd2+, Hg2+, and Pb2+) have been investigated by density functional theory method (DFT) using Gaussian system. The DFT calculations were performed by using 6-311G(d,p) with LANL2DZ ECP basis set at the B3LYP level of theory. The interaction energies were used to evaluate the metal binding capability of the crown ethers. The influence of adding substituents was also studied. The result of these calculation showed that the number of ion charge transfer is proportion with the increasing of the interaction energy, furthermore the existence of the electron donating group (EDG) affected the crown ether’s ability to bind heavy metals cation. In addition, based on the extraction interaction energy, charge transfer, and the electron distribution at the HOMO-LUMO orbitals can be concluded that the selectivity order of 15-crown-5 derivate is Cd2+ > Hg2+ > Pb2+ .
| Item Type: | Thesis (S1) |
|---|---|
| Keywords (Kata Kunci): | Pendidikan |
| Subjects: | L Education > L Education (General) |
| Divisions: | Fakultas Keguruan dan Ilmu Pendidikan |
| Depositing User: | Wiwin Kartikawati |
| Date Deposited: | 30 Aug 2022 07:23 |
| Last Modified: | 30 Aug 2022 07:23 |
| URI: | http://eprints.unram.ac.id/id/eprint/31302 |
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