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Title: NMR characterization of substituent effects in cation–pi interactions
Authors: Sayyed, F B
Suresh, C H
Keywords: NMR spectroscopy
Meta carbons
Cation–pi complexes
Issue Date: 27-Jan-2012
Publisher: Elsevier
Citation: Chemical Physics Letters 523:11-14;27 Jan 2012
Abstract: Substituent effects in C6H5X. . .M+ (M+ = Li+, Na+, K+, and NHþ4) systems have been characterized using isotropic nuclear magnetic shielding constants (r). Good linear relationship between r and the Hammett substituent constant rp is established which suggests that the substituent effects can be quantified by NMR experiments. Irrespective of the electronic nature of X, meta carbons, and all the hydrogens are always deshielded and this property is useful for detecting cation–p interaction. The r-scan plots revealed that the deshielding effect of the cation on the aromatic ring is significant even at large cation–p distance ( 4.5 Å)
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