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6922563 
Journal Article 
MP2 study of cooperative effects between cation-pi, anion-pi and pi-pi interactions 
Frontera, A; Quinonero, D; Costa, A; Ballester, P; Deya, PM; , 
2007 
1 
New Journal of Chemistry
ISSN: 1144-0546
EISSN: 1369-9261 
ROYAL SOC CHEMISTRY 
CAMBRIDGE 
556-560 
WOS:000245439700012 
In this manuscript we report high level ab initio calculations (RI-MP2(full)/6-31++G**) and experimental evidence that demonstrate that important non-additivity effects between three noteworthy non-covalent interactions that involve aromatic rings ( benzene and hexafluorobenzene), i.e. cation -pi, anion -pi and pi-pi interactions, occur when the interactions coexist in the same complex. In some cases we have observed very high non-additivity energies (up to - 20.3 kcal mol(-1)) that indicate that the cation -pi and/or the anion - pi have a strong influence on the pi - pi interaction and vice versa. 
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