شماره ركورد كنفرانس
3834
عنوان مقاله
AB INITIO THERMODYNAMIC STUDY OF THE REACTION OF N ALKYLANTHRANILALDEHYDES WITH ACRYLOYL CHLORIDE DERIVATIVES
پديدآورندگان
Kiamehr Mostafa m.kiamehr@qom.ac.ir Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran; , Abbasi Afshin Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran , Mostaanzadeh Hossein Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran , Honarmand Ebrahim Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran
تعداد صفحه
3
كليدواژه
Ab initio , thermodynamic study , DFT ,
سال انتشار
1395
عنوان كنفرانس
نوزدهمين سمينار شيمي فيزيك ايران
زبان مدرك
انگليسي
چكيده فارسي
Density functional theory calculations (DFT) were used to study the thermodynamic parameters for the eighteen compounds. These compounds are synthesized from the reaction of some of the N-alkylanthranilaldehydes with acryloyl chloride. For these types of reactions three deferent paths and products are expected. DFT calculations show that the main experimental products are thermodynamic controls one.
كشور
ايران
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