This article is cited in 6 papers

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

R. M. Minyaev, V. I. Minkin

Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation

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.

Language: English

DOI: 10.1070/MC2000v010n05ABEH001366