Issue 5, 2000

Inramolecular hypervalent O→Cl interaction in the chloronium cations: an ab initio study

Abstract

The ab initio [MP2(fu)/6-31G**] and DFT (B3LYP/6-31+G**) calculations predict that the strong hypervalent O→Cl interaction stabilises the cyclic and bicyclic heteropentalene structures of chloronium cations.

Article information

Article type
Paper

Mendeleev Commun., 2000,10, 173-175

Inramolecular hypervalent O→Cl interaction in the chloronium cations: an ab initio study

R. M. Minyaev and V. I. Minkin, Mendeleev Commun., 2000, 10, 173 DOI: 10.1070/MC2000v010n05ABEH001366

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