Molecular Recognition and "On-off" Switching of 30-Crown-10 to Biological-polar Guest Molecules

Abstract

Abstract: Theoretical studies on the coordinations between 30-crown-10 and benzene derivatives,2-deoxyribose,ribose or fructofuranose,are carried out with AM1,MNDO and PM3 methods and the stability energy is obtained.It is indicated that 30-crown-10 recognizes polar guests especially 2-deoxyribose.The electronic spectra of the complexes are computed by INDO/SCI method.The blue-shift of absorption peaks of electronic spectra for the complexes takes place compared with that of the host. The molecular "On-off" switching is designed and the potential curve of the proton transfer is calculated.

Key words: 30-Crown-10,2-Deoxyribose, Molecular recognition, Molecular switching

CLC Number:

O641

TrendMD:

QI Li-Ya, TENG Qi-Wen, WU Shi, LIU Zheng-Zheng . Molecular Recognition and "On-off" Switching of 30-Crown-10 to Biological-polar Guest Molecules[J]. Chem. J. Chinese Universities, 2005, 26(10): 1909.

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Molecular Recognition and "On-off" Switching of 30-Crown-10 to Biological-polar Guest Molecules

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