From subtle to substantial: role of metal ions on pi-pi interactions.
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 a 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.
Reddy
A Srinivas
AS
Vijay
Dolly
D
Sastry
G Madhavi
GM
Sastry
G Narahari
GN
D002412:Cations / Q000737:chemistry; D008670:Metals / Q000737:chemistry*; D011789:Quantum Theory
D002412:Cations; D008670:Metals