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- W2120599911 abstract "Abstract A number of neutral cyclophanes incorporating either a 2,6- or a 2,7-dioxynaphthalene unit have been synthesised and their binding properties toward tetramethylammonium and N-methylpyridinium picrates assessed by means of a 1H NMR spectroscopic technique. A parallel computational study based on molecular mechanics and molecular dynamics calculations has been carried out. There is at least a rough agreement between complexation phenomena based on cation - π interactions in solution and molecular mechanics calculations in the gas phase, in that the stability trend seen across the series of naphthalenophane/tetramethylammonium complexes is satisfactorily reproduced. Furthermore, there is a clear corre-spondence between the magnitude of the observed upfield shifts upon complexation and the calculated structures of host-guest complexes." @default.
- W2120599911 created "2016-06-24" @default.
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- W2120599911 date "2001-03-01" @default.
- W2120599911 modified "2023-09-23" @default.
- W2120599911 title "Experimental and Computational Study of Complexes Between Quats and Naphthalenophanes" @default.
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- W2120599911 doi "https://doi.org/10.1080/10610270108027486" @default.
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