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The Oxidative Mechanism in Electrophilic CH Activation: The Case of CH 2 F 2 and CH 2 Cl 2
Author(s) -
de Petris Giulia,
Rosi Marzio,
Ursini Ornella,
Troiani Anna
Publication year - 2013
Publication title -
chemistry – an asian journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.18
H-Index - 106
eISSN - 1861-471X
pISSN - 1861-4728
DOI - 10.1002/asia.201201028
Subject(s) - electrophile , hydride , chemistry , gas phase , charge (physics) , atom (system on chip) , reaction mechanism , crystallography , medicinal chemistry , stereochemistry , physics , hydrogen , catalysis , organic chemistry , quantum mechanics , computer science , embedded system
The H . ‐atom transfer (HAT) reaction is investigated in the gas phase, starting from two different entrance channels, O 2 .+ /CH 2 X 2 and CH 2 X 2 .+ /O 2 (X=F, Cl), that correspond to a step of hydride transfer and to HAT, respectively. Analysis of the spin and charge along the reaction pathway shows that HAT occurs through the same reacting configuration, irrespective of whether the reactants are formed within the complex or are free isolated species.