Mikhailov, O. and Chachkov, Denis (2020) NOVEL OXIDATION DEGREE – Zn+3 IN THE MACROCYCLIC COMPOUND WITH TRANS-DI[BENZO]PORPHYRAZINE AND FLUORIDE LIGAND: QUANTUM-CHEMICAL CONSIDERATION. EUROPEAN CHEMICAL BULLETIN, 9 (7). pp. 160-163. ISSN 2063-5346
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Official URL: https://doi.org/10.17628/ecb.2020.9.160-163
Abstract
Based on the results of a quantum chemical calculation using two variants of the DFT method, the possibility of the existence of a zinc heteroligand complex with trans-dibenzoporphyrazine and fluoride ion where oxidation degree of zinc is +3 that is unusual for the given chemical element, have been shown. The data on the key structural parameters and multiplicity of the ground state of this complex have been presented, too.
| Item Type: | Article |
|---|---|
| Subjects: | Q Science / természettudomány > QD Chemistry / kémia |
| SWORD Depositor: | MTMT SWORD |
| Depositing User: | Erika Bilicsi |
| Date Deposited: | 14 Jul 2020 08:43 |
| Last Modified: | 14 Jul 2020 08:43 |
| URI: | http://real.mtak.hu/id/eprint/111319 |
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