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Issue 7, 2001
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Induced-fit conformational changes in the cation–π complexes of pyxophane: a DFT study

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Abstract

In contrast to the proposed structures of 1 ∶ 1 complexes of the chair-form pyxophane1 with Na+ and `external' 2 ∶ 1 complexes with K+, DFT calculations suggest that 1 prefers the saddle-form in the complexes due to the induced-fit conformational change and that 1 forms an `internal' 2 ∶ 1 complex with K+.

Graphical abstract: Induced-fit conformational changes in the cation–π complexes of pyxophane: a DFT study

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Publication details

The article was received on 26 Mar 2001, accepted on 22 May 2001 and first published on 05 Jun 2001


Article type: Communication
DOI: 10.1039/B102759J
Citation: J. Chem. Soc., Perkin Trans. 2, 2001,0, 1021-1023

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    Induced-fit conformational changes in the cation–π complexes of pyxophane: a DFT study

    M. Yoshida, S. Tsuzuki and N. Tamaoki, J. Chem. Soc., Perkin Trans. 2, 2001, 0, 1021
    DOI: 10.1039/B102759J

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