The H.-atom transfer (HAT) reaction is investigated in the gas phase, starting from two different entrance channels, O2.+/CH2X2 and CH2X2.+/O2 (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.

The Oxidative Mechanism in Electrophilic CH Activation: The Case of CH2F2 and CH2Cl2 / DE PETRIS, Giulia; M., Rosi; O., Ursini; Troiani, Anna. - In: CHEMISTRY - AN ASIAN JOURNAL. - ISSN 1861-4728. - STAMPA. - 8:3(2013), pp. 588-595. [10.1002/asia.201201028]

The Oxidative Mechanism in Electrophilic CH Activation: The Case of CH2F2 and CH2Cl2

DE PETRIS, GIULIA;TROIANI, Anna
2013

Abstract

The H.-atom transfer (HAT) reaction is investigated in the gas phase, starting from two different entrance channels, O2.+/CH2X2 and CH2X2.+/O2 (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.
2013
01 Pubblicazione su rivista::01a Articolo in rivista
The Oxidative Mechanism in Electrophilic CH Activation: The Case of CH2F2 and CH2Cl2 / DE PETRIS, Giulia; M., Rosi; O., Ursini; Troiani, Anna. - In: CHEMISTRY - AN ASIAN JOURNAL. - ISSN 1861-4728. - STAMPA. - 8:3(2013), pp. 588-595. [10.1002/asia.201201028]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/501004
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