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Abstract
Asetatsetanilidning konformerlari va tautomerlari DFT (B3LYP/6-311++G**) va IQ spektroskopiya usullari bilan o'rganilgan. Molekulyar O–H∙∙∙O va N–H∙∙∙O vodorod bogʻlanishi orqali hosil boʻlgan asetoasetanilid dimerlarining geometriyasi va energiya parametrlari olindi. Azot va kislorod atomlarining elektron juftlari va C=O karbonil guruhining antibogʻlovchi π*-orbitallari hamda atsetoasetanilid tautomerlaridagi qoʻsh va yakka bogʻlarning donor-akseptor oʻzaro taʼsirining energiyasi NBO usuli yordamida hisoblangan.
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