摘要
报导了噻吩甲酰三氟丙酮(TTA)与4-氨基安替比林(4-ATP)缩合反应生成的两个席夫碱化合物A和C,利用分子力学和分子动力学方法研究了该缩合反应可能生成的三个席夫碱化合物A、B和C的各种构象.从TTA的量化计算结果可以看出缩合反应生成的两个席夫碱化合物A和C是正确的.
Two novel thenoyl Schiff base compounds(A and C) have been prepared from the reactions of thenoyltrifluoroacetone with 4 aminoantipyrine. The three Schiff base compounds(A, B and C), which might be prepared from the reactions, are studied using the molecular mechanism and molecular dynamic calculation methods. The results of the molecular mechanism calculation show that the compounds A, B and C are novel tridentate Schiff base ligands. The result of the quantum chemistry calculation for the thenoyltrifluoroacetone (TTA) indicates that the two products(A and C) from the Schiff reactions are normal.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
2002年第5期389-393,共5页
Acta Physico-Chimica Sinica
基金
天津市科委自然基金(003601711)资助项目
