Journal
ORGANIC LETTERS
Volume 5, Issue 13, Pages 2227-2229Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ol034650u
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Ab initio calculations were performed on complexes between cations and s-triazine, which has a small and positive quadrupole moment. Minimum energy pi-complexes; were found between s-triazine and cations. Minimum pi-complexes with anions were previously reported. This ability of s-triazine to form stable complexes with either anions or cations is studied using several theoretical methods. A likely explanation of this duality is the stabilization obtained from the ion-induced polarization.
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