Molecular Recognition and "on-off" Switching of Cyclo-bis(paraquat-p-phenylene) to Neutral Guests

Abstract

Abstract: AM1 and MNDOwere used to optimize supermolecular structures of cyclobis(paraquat-p-phenylene) to neutral guests and obtain ΔΔ Efor interchanging of complexes. Electronic spectra of four complexes were calculated with INDO/SCIbased on AM1 geometries, and it was indicated that their characteristic absorption peaks are red shifted compared with those of the host or the guests. Meanwhile the potential curve in the presence of H⁺ for the complex of the host and the biphenyl ether derivative was computed with AM1 and the mechanism of the "on-off" switching was discussed.

Key words: Cyclobis(paraquat-p-phenylene), Molecular recognition, "On-off", switching, Electronic spectrascopy

CLC Number:

O641

TrendMD:

TENG Qi-Wen , WU Shi, CHEN Su-Qing, ZHANG Yan-Dong, ZHENG Xiao-Ming . Molecular Recognition and "on-off" Switching of Cyclo-bis(paraquat-p-phenylene) to Neutral Guests[J]. Chem. J. Chinese Universities, 2002, 23(7): 1331.

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Molecular Recognition and "on-off" Switching of Cyclo-bis(paraquat-p-phenylene) to Neutral Guests

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