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2,3,4,5,6-Pentafluoroaniline (PFA) is a very attractive object to theoretical study of fluorine interaction with an aromatic ring. Two major opposite effects are observed in PFA: interaction of the σ–π electron donating amino group, promoting electrophilic substitution at the ortho/para position by increasing the electron density at the ortho/para carbons versus fluorine substituents. This very strongly...
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