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Communication | Regular issue | Vol 38, No. 9, 1994, pp.1957-1960
Published online, 1st January, 1970
DOI: 10.3987/COM-94-6769
Density Functional Calculations on Heterocyclic Compounds. Part 2. On the Protonation of 4,5-Dichloro-2-methyl-3(2H)-pyridazinone

Péter Mátyus,* Kaoru Fuji, Kiyoshi Tanaka,* Janos Rohonczy, Richárd Hargitai, and Pál Sohár*

*Department of General and Inorganic Chemistry, Loránd Eötvös University, H-1518 Budapest 112, P.O.Box 38, Hungary

Abstract

Studies on protonation of the title compound by DF and ab initio quantum chemical methods as well as 13C-nmr relaxation measurements revealed that O-protonation took place.