KFQ (KABAMID, FORMALIN VA QAHRABO KISLOTA ASOSIDA OLINGAN) RSORBENTINING REAKSION QOBILIYATINI KVANT KIMYOVIY TAHLILLARI
Keywords:
Kalit so‘zlar: sorbent, karbamid, formalin, qahrabo kislotasi, kvant-kimyoviy usullar, Avogadro, Hyper Chem 8.01, GaussView 6.0.16 dasturiy ta’minoti, Bog'lanish uzunliklari.Abstract
In the article, the synthesis of complex-forming sorbents containing nitrogen and oxygen, the properties of complex compounds of some 3d metals based on the obtained sorbents were studied. Complex forming. was studied based on the use of semi-empirical quantum-chemical methods in the study of competing donor centers of coordination of polydentate ligands. The electronic structure, geometric and energetic characteristics of synthesized polymer ligands were studied using quantum chemical methods (Avogadro, Hyper Chem 8.01, GaussView 6.0.16 software). When bond lengths change from a free molecule to a coordinated molecule, a significant change in bond distances is observed. The values of the effective charge of donor atoms in KFQ sorbent molecules are presented on the basis of the table. Comparing the values of electronic charges calculated using these methods, it was concluded that the donor atoms with the highest value of negative charge in all calculated molecules can be coordinated.
References
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