Inside Back Cover: Origin of the Regioselectivity in the Gas‐Phase Aniline+CH 3  +  Electrophilic Aromatic Substitution (ChemPhysChem 11/2015) | Zendy

Kinzel Daniel | Zendy; Zilberg Shmuel | Zendy; González Leticia | Zendy

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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.

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