Study of Molecular Recognition on Amino Acid Esters by Chirai SalenCoⅡ

Abstract

Abstract:

The molecule recognition of a chirai SalenCo^Ⅱ compound towards four pairs of enautiomers of amino acid esters in CH₂Cl₂ was investigated with UV-vis spectral method. It was found that the SalenCo^Ⅱ compound and the amino acid esters could form 1:1 complexes and the associative constants of the molecular recognition reactions were following tbe order K_D>K_L and K(LeuOMe)> K(AlaOMe)> K(SerOMe)> K(TyrOMe). The Δ_rG^θ_m,Δ_rH^θ_m,Δ_rS^θ_m values of the recognition processes were determined and the reactions were believed to be exothermic and entropy decreasing. In addition, the conformations with minimal energy of each host-guest molecular system complex were sought by molecular dynamics method. Quantum chemical calculations were performed on these conformations to explain the experimental data, and the model of the recognition mechanism was constructed.

Key words: Chirai SalenCo^Ⅱ, Chirai amino acid esters, Molecule recognition, Molecular mechanics

CLC Number:

O641.24

TrendMD:

LIU Tao, RUAN Wen-Juan, LI Ying, JIANG Dong-Qing, ZHU Zhi-Ang, CHEN Yong-Ti, Albert S. C. Chan. Study of Molecular Recognition on Amino Acid Esters by Chirai SalenCo^Ⅱ[J]. Chem. J. Chinese Universities, 2001, 22(S1): 159.

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Study of Molecular Recognition on Amino Acid Esters by Chirai SalenCo^Ⅱ

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