AI Summary & Key Takeaways
AI InsightBy carried out the conformation analysis and quantum mechanical calculations of compounds, of molecules, it was determined heat of formation, energy of ionisation, bonding features, analysing the electron distribution, dipole moments, HOMO-LUMO energy levels and the MO wave functions for these levels.
📌 3 Key Takeaways
Abstract
In this study, it was investigated the electronic structures of a group of amidines and bicyclic-l,3,5-triazine-2,4(3H)-diones obtained by reaction of the amidines with diphenyl-iminodicarboxylate. By carried out the conformation analysis and quantum mechanical calculations of compounds, of molecules, it was determined heat of formation, energy of ionisation, bonding features, analysing the electron distribution, dipole moments, HOMO-LUMO energy levels and the MO wave functions for these levels.
Özet
Bir grup amidin ve bu amidinlerin difenil-iminodikarbokzalat ile reaksiyonundan elde edilen bisiklik-l,3,5-triazin-2,4(3H)-dionların elektronik yapıları araştırıldı. Bileşiklerin konformasyon analizleri ve kuantum mekaniksel hesaplamaları yapılarak bileşiklerin oluşum enerjileri, iyonizasyon enerjileri, molekül bağ özellikleri, moleküldeki elektron yük dağılım analizleri, dipol momentleri, HOMO-LUMO enerji düzeyleri, bunlara ait yörüngemsi dalga denklemleri tayin edildi.