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Inside Back Cover: Origin of the Regioselectivity in the Gas‐Phase Aniline+CH 3 + Electrophilic Aromatic Substitution (ChemPhysChem 11/2015)
Author(s) -
Kinzel Daniel,
Zilberg Shmuel,
González Leticia
Publication year - 2015
Publication title -
chemphyschem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201590061
Subject(s) - aniline , chemistry , regioselectivity , electrophilic aromatic substitution , gas phase , electrophilic substitution , electrophile , computational chemistry , substitution reaction , electron transfer , phase (matter) , molecular dynamics , photochemistry , medicinal chemistry , organic chemistry , catalysis
Nonadiabatic molecular dynamics simulations are used to monitor the attack of CH 3 + on aniline. On p. 2366 , D. Kinzel et al. show that in the gas phase this reaction is governed by an ultrafast electron transfer, giving rise to ortho and para σ complexes.