The Ho-atom transfer (HAT) reaction is investigated in the gas phase starting from different entrance channels, O2o+ / CH2X2 and CH2X2o+ / O2 (X= F, Cl), i.e. as a step of hydride-transfer and as HAT, respectively. The analysis of the spin and charge along the reaction path shows that the hydrogen-atom transfer occurs through the same reacting configuration, irrespective of whether the reactants are developed within the complex or they are free isolated species.
The oxidative mechanism in electrophilic C-H activation. The case of CH2F2 and CH2Cl2
Ornella Ursini;
2013
Abstract
The Ho-atom transfer (HAT) reaction is investigated in the gas phase starting from different entrance channels, O2o+ / CH2X2 and CH2X2o+ / O2 (X= F, Cl), i.e. as a step of hydride-transfer and as HAT, respectively. The analysis of the spin and charge along the reaction path shows that the hydrogen-atom transfer occurs through the same reacting configuration, irrespective of whether the reactants are developed within the complex or they are free isolated species.File in questo prodotto:
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