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The intramolecular cation–π interaction of some aryl amines and its drastic influence on the basicity of them: AIM and NBO analysis.

Authors :
Kheirjou, Somayyeh
Fattahi, Alireza
Hashemi, Mohammad Mahmoodi
Source :
Computational & Theoretical Chemistry; May2014, Vol. 1036, p51-60, 10p
Publication Year :
2014

Abstract

Highlights: [•] Increasing methylene groups in aryl amines results in higher cation–π interactions. [•] There is good correlation between proton affinities and Hammett’s parameters. [•] Hydrogen atom of ammonium group is responsible for making cation–π interactions. [Copyright &y& Elsevier]

Details

Language :
English
ISSN :
2210271X
Volume :
1036
Database :
Supplemental Index
Journal :
Computational & Theoretical Chemistry
Publication Type :
Academic Journal
Accession number :
95632123
Full Text :
https://doi.org/10.1016/j.comptc.2014.02.008