THE CONFORMATION STUDY OF SPIROBISCALIX [4]ARENE-CROWN-3 IN SOLUTION

Chinese Journal of Magnetic Resonance ›› 1999, Vol. 16 ›› Issue (1): 28-32.

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THE CONFORMATION STUDY OF SPIROBISCALIX [4]ARENE-CROWN-3 IN SOLUTION

Zhang Tao, Mao Xi'an, Li Jianshen, Chen Yuanyin

1 State Key Laboratory of Magnetic Resonance & Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, The Chinese Academy of Sciences, Wuhan 430071;
2 Department of Chemistry, Wuhan University, Wuhan 430072

Received:1998-11-24 Revised:1998-12-10 Published:1999-02-05 Online:2018-01-11

Abstract

Abstract: The conformation of spirobiscalix [4] arene-crown-3 in solution is studied by NMR. Chemical shift assignments of ¹H and ¹³C indicate that this molecule takes the cone conformation at room temperature. Using the data of 2D NOESY spectra the distances between the protons are estimated by the isolated spin pair approximation through molecular modeling calculations. Exchange rates between the hydroxyl protons and the trace water in the solvent are also evaluated.

Key words: Spirobiscalix [4] arene-crown-3, NMR spectra, Chemical exchange

Zhang Tao, Mao Xi'an, Li Jianshen, Chen Yuanyin. THE CONFORMATION STUDY OF SPIROBISCALIX [4]ARENE-CROWN-3 IN SOLUTION[J]. Chinese Journal of Magnetic Resonance, 1999, 16(1): 28-32.

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THE CONFORMATION STUDY OF SPIROBISCALIX [4]ARENE-CROWN-3 IN SOLUTION

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