TY - JOUR ID - TI - Experimental and Theoretical Study of 4-Methylaminoantipyrine with Divalent Metal Ions AU - Farah M. Ibrahim PY - 2018 VL - 21 IS - 3 SP - 70 EP - 81 JO - Al-Nahrain Journal of Science مجلة النهرين للعلوم SN - 26635453 26635461 AB - Co2+, Ni2+, Cu2+ complexes with 4-methylaminoantipyrine (MAP) were synthesis and characterized by IR, UV-Vis., thermal analysis, CHNO-S analysis, magnetic susceptibility, conductivity measurements and this work includes a theoretical study of MAP complexes where it was done by the program of hyperchem8.0.7 using semi-empirical calculations. The PM3 method at 298 K used to calculate geometric properties, binding energy (ΔEb), heat of formation (ΔH○f), total energy (ΔEtot.), ultraviolet and vibrational data of the MAP complexes. The comparing of experimental data with theoretical data gave good results, so the square planar geometry suggested for complexes.

ER -