Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 110, Issue 6, Pages 2479-2481Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp060018h
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Quantum chemistry calculations reveal that the subtle pi-pi interactions. usually in the range 2-4 kcal/mol, will become substantially significant, from 6 to 17 kcal/mol, in the presence of metal ion. The metal ions have higher affinity toward pi-pi dimer compared to a single pi-moiety. Considering the widespread occurrence of cation-pi-pi motifs in chemistry and biology, as evident from the database analysis, we propose that the two key noncovalent forces, which govern the macromolecular structure. cation-pi and pi-pi, work in concert.
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