DFT study of salicylaldehyde semicarbazone derivatives interaction with copper and the effect of aminic substituent

• المؤلفون الرئيسيون: Tan, Shiow Jin, Xi, Hong Wei, Bedoura, Sultana, Lim, Kok Hwa
• مؤلفون آخرون: School of Chemical and Biomedical Engineering
• التنسيق: مقال
• اللغة: English
• منشور في: 2013
• الموضوعات: DRNTU::Engineering::Chemical engineering
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/101491; http://hdl.handle.net/10220/16766
• المؤسسة: Nanyang Technological University

The effect of aminic substituent on the stability of conformers and the bond nature of copper complexation of N-alkyl, N-aryl substituted salicylaldehyde semicarbazone (H2ssc) were studied using DFT B3LYP method, including the natural bond orbital (NBO) analysis. We found three stable conformers for...