Binding of Alkali Metal Ions with 1,3,5-Tri(phenyl)benzene and 1,3,5-Tri(naphthyl)benzene: The Effect of Phenyl and Naphthyl Ring Substitution on Cation−π Interactions Revealed by DFT Study

2017 ◽  
Vol 121 (46) ◽  
pp. 8927-8938 ◽  
Author(s):  
Ali Mirchi ◽  
Natalia Sizochenko ◽  
Tandabany Dinadayalane ◽  
Jerzy Leszczynski
Keyword(s):  
Alkali Metal ◽  
Metal Ions ◽  
Dft Study ◽  
Alkali Metal Ions ◽  
Π Interactions ◽  
Naphthyl Ring

The interaction of NOTA as a bifunctional chelator with competitive alkali metal ions: a DFT study

RSC Advances ◽  
2016 ◽  
Vol 6 (83) ◽  
pp. 79485-79496 ◽  
Author(s):  
F. Y. Adeowo ◽  
B. Honarparvar ◽  
A. A. Skelton
Keyword(s):  
Density Functional Theory ◽  
Alkali Metal ◽  
Metal Ions ◽  
Density Functional ◽  
Dft Study ◽  
Alkali Metal Ions ◽  
Functional Theory ◽  
Bifunctional Chelator

This work investigates NOTA–alkali metal (Li+, Na+ and K+ and Rb+) complexation using density functional theory.

DFT study on the selective complexation of B12N12 nanocage with alkali metal ions

2017 ◽  
Vol 193 (3) ◽  
pp. 178-184 ◽  
Author(s):  
Mohammad Khavani ◽  
Mohammad Izadyar ◽  
Mohammad Reza Housaindokht
Keyword(s):  
Alkali Metal ◽  
Metal Ions ◽  
Dft Study ◽  
Alkali Metal Ions ◽  
Selective Complexation

Cation-π interaction of alkali metal ions with C24 fullerene: a DFT study

2012 ◽  
Vol 18 (8) ◽  
pp. 3535-3540 ◽  
Author(s):  
Morteza Moradi ◽  
Ali Ahmadi Peyghan ◽  
Zargham Bagheri ◽  
Mohammad Kamfiroozi
Keyword(s):  
Alkali Metal ◽  
Metal Ions ◽  
Dft Study ◽  
Alkali Metal Ions

A Joint Experimental and Theoretical Study of Cation−π Interactions:  Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)

2005 ◽  
Vol 127 (30) ◽  
pp. 10656-10666 ◽  
Author(s):  
Alireza Haghiri Ilkhechi ◽  
Jose M. Mercero ◽  
Iñaki Silanes ◽  
Michael Bolte ◽  
Matthias Scheibitz ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Metal Ions ◽  
Theoretical Study ◽  
Alkali Metal Ions ◽  
Sandwich Complexes ◽  
Π Interactions
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