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Formation of 4-Halo-4-nitrocyclohexa-2,5-dienones on nitration of p-halophenols and p-halophenyl acetates

✍ Scribed by Robin G. Clewley; Gordon G. Cross; Alfred Fischer; George N. Henderson


Book ID
107857395
Publisher
Elsevier Science
Year
1989
Tongue
French
Weight
838 KB
Volume
45
Category
Article
ISSN
0040-4020

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Formation of Trichlorinated Dibenzo-p-di
✍ Ernesto Suárez; Dimas Suárez; Maria Isabel Menéndez; Ramón López; Tomás Luis Sor 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 336 KB

## Abstract The reaction of the 2,4,5‐trichlorophenolate anion with 2,4‐dichlorophenol to afford trichlorinated dibenzo‐__p__‐dioxins (T3CDDs) is investigated at the B3LYP/6‐31+G(d) and B3LYP/6‐311+G(3df,2p)//B3LYP/6‐31+G(d)+ZPVE(B3LYP/6‐31+G(d)) levels of theory. The first stage of the process cor