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Citation: Wang Jin-Ling, Yu Ming, Yang Yun, Miao Fang-Ming. Synthesis, Molecular Mechnism and Quantum Chemistry Calculation of[J]. Acta Physico-Chimica Sinica, ;2002, 18(05): 389-393. doi: 10.3866/PKU.WHXB20020502 shu

Synthesis, Molecular Mechnism and Quantum Chemistry Calculation of

1.
Institue of Chemical Crystallography, Tianjin Normal University,Tianjin　300074;The College of Tianjin Light Industry, Tianjin　300222

Received Date: 6 September 2001
Available Online: 15 May 2002

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.
- Schiff base;Schiff reactions;Molecular mechanism calculation;　Quantum chemistry calculation;Mechanism analysis
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