| Autor: |
Bekmurod Khurramovich Alimnazarov, Ashurov, Jamshid Mengnorovich, Eshimbetov, Alisher Gulumbaevich |
| Jazyk: |
angličtina |
| Rok vydání: |
2022 |
| Předmět: |
|
| DOI: |
10.5281/zenodo.7459714 |
| Popis: |
On the base of p-chlorophenoxyacetic acid and copper sulphate (II) has been obtained early described coordination compound [Cu(4-D)2(H2O)2]. Its electronic structure were studied by DFT metod using ORCA program package. The electron-donor and electron-acceptor parts of the ligand and complex molecules were determined by analysis of Malliken atomic charges and ECP surface. It was found a low-lying LUMO in the case of a metal complex in which the proportion of the d-orbital of the metal is more than 60%. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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