MIS FTALOSIANIN KOMPLEKSIDAGI IZOINDOL LIGANDINING KVANT-KIMYOVIY TAHLILI
Abstrak
Ushbu maqolada mis (Cu) II ionini saqlagan ftalosianin kompleksi tarkibidagi ligand molekulasining kvant-kimyoviy xossalari Gaussian dasturi yordamida tahlil qilindi. Hisob-kitoblar zichlik funksional nazariyasi (ZNF) asosida B3LYP funksionali va 6-31G bazis to‘plami orqali bajarildi. Ligand molekulasining elektron zichligi taqsimoti, HOMO–LUMO energiya oralig‘i, dipol momenti, elektrostatik potensial yuzalari hamda reaktivlik indekslari aniqlanib, ularning kompleksning umumiy barqarorligiga ta’siri tahlil etildi.
Iqtiboslar
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