Molecular Recognition of Dinuclear Salen Zinc Complex for Small Molecules with Nitrogen

Abstract

Abstract: A novel dinuclear Salen zinc complex was synthesized and characterized. The coordination number and association constants of axial coordination reaction of complex C₁₀-(Salen Zn)₂ towards imidazole, pyridine, DABCO and Pyrazine were measured by means of spectra technique. The coordination number for Im, Py and pyrazine were all 2, but for DABCO was only 1. The association constants of host-guest system decreased in the order of K0(Im)>K0(DABCO)>K0(Pyrazine)> K0(Py). The thermodynamic parameters Δ_rH_m0, Δ_rS_m0 and Δ_rG_m0 were determined. The results showed that recognition process was exothermic and entropy decrease. In addition, the studies by means of ¹H NMR and the conformations with minimal energy of the host-guest were sought by simulated annealing method, which gave the reasonable explanation for the conformation of the host C₁₀-(Salen Zn)₂ and DABCO forming complex, the spectral changes of host-guest systems were explained by quantum chemical calculations.

Key words: Dinuclear Salen Zn complex, Guest, Molecular recognition, Conformation analysis

CLC Number:

O614.24

TrendMD:

ZHU Bi-Xue, RUAN Wen-Juan, GAO Feng, CAO Xiao-Hui, ZHU Zhi-Ang . Molecular Recognition of Dinuclear Salen Zinc Complex for Small Molecules with Nitrogen[J]. Chem. J. Chinese Universities, 2005, 26(3): 412.

References

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