Paeonol reduction furfurylamine Schiff reduction product of the synthesis and study of quantitative calculation of.docVIP

 PAGE \* MERGEFORMAT 10 Paeonol reduction furfurylamine Schiff reduction product of the synthesis and study of quantitative calculation of [Abstract] Objective To synthesize the title compound and its structure of theoretical research. Methods Paeonol and furfurylamine Schiff base was synthesized by sodium borohydride reduction afforded the title compound; use Hyperchem7.0 program, using semi-empirical method in the energy distribution of the molecule, the main bond lengths, bond angles and the main The net atomic charge distribution and orbital distribution of preface. The results of the title compound, yield 65.6%; calculation results show that the main elements of the bond length between atoms and bond angle within the framework of the basic normal; negative charge mainly on the O1, O2, O3, and N1 on. Conclusion synthesis of the target product belonging to four ligand molecules present optimized structure and a certain degree of stability of the concrete. [Keywords:] paeonol; bran amine; Schiff base; synthesis; quantitative calculation of Abstract: The title compound was synthesized and its structure was studied in theory.The Schiff base compound was synthesized by condensation of paeonol with furylfurylamine, then it was deoxidized by Sodium borohydried.The energies, bound lengths, bound angles, the net charges of main atom and contributive percents of frontier orbital in the title compound have been calculated by software HyperChem 7.0 in half experience method.The yield rate of title compound was 65.6%. The result of calculation showed that the most of the bond lengths and angles in the system were in the the normal range, negative charge mainly concentrate on O1, O2, O3 and N1.The title compound behaves as quadridentate ligand. The molecular structure is stabilized and it is displayed the optimum structure. Keywords:: Paeonol; Furylfurylamine; Schiff Base; Synthesis; Quantum chemistry calculation Since the Schiff base has been found that, due to Sch