caa a22 4500 465818897 CHVBK 20180323112130.0 cr unu---uuuuu 170327e19900501xx s 000 0 eng 10.1007/BF01112869 doi (NATIONALLICENCE)springer-10.1007/BF01112869 Hrušák Jan Institute of Macromolecular Chemistry, Czechoslovak Academy of Sciences, 162 06, Prague 6, Czechoslovakia aut An MNDO study of the electrophilic aromatic substitution on trifluorobenzenes [Elektronische Daten] [Jan Hrušák] Summary: MNDO calculations of trifluorosubstituted benzenes and their protonated intermediates [Ph-F3]H+ were performed. The results are discussed with respect to changes in geometry, charge distribution and stabilities of the individual intermediates. It appears that the predominant influence which controls the protonation position is the ability of the substituent F to increase both the positive charge and polarities of the carbon bonds situated in themeta-position with respect to the substituent, thus directing protonation to theortho- andpara-positions. Springer-Verlag, 1990 MNDO nationallicence Protonated trifluorobenzenes nationallicence Aromatic substitution nationallicence Theoretica chimica acta Springer-Verlag 78/3(1990-05-01), 203-209 0040-5744 78:3<203 1990 78 214 https://doi.org/10.1007/BF01112869 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01112869 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Hrušák Jan Institute of Macromolecular Chemistry, Czechoslovak Academy of Sciences, 162 06, Prague 6, Czechoslovakia aut NATIONALLICENCE 773 0- Theoretica chimica acta Springer-Verlag 78/3(1990-05-01), 203-209 0040-5744 78:3<203 1990 78 214 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer