Reply to the ‘Comment on “trans-1,2-Disiloxybenzocyclobutene, an adequate partner for the auto-oxidation: EPR/spin trapping and theoretical studies”’ by H.-G. Korth, P. Mulder and T. Paul, Phys. Chem. Chem. Phys., 2017, 19 , C6CP04187F

Paola Nava (1) , Yannick Carissan (1) , Beátrice Tuccio (2) , Laurent Commeiras (3) , Jean-Luc Parrain (3)

1 ISM2 - Institut des Sciences Moléculaires de Marseille
2 ICR - Institut de Chimie Radicalaire
3 STeRéO

The proposal and the comments made by Korth et al. on a biradical intermediate along the isomerization path of the reaction of trans-1,2-tert-butyldimethyldisilyloxybenzocyclobutene 1 with dioxygen are unsuitable in our case. The mechanism scenario that we proposed is in agreement with our experimental observations. Moreover, new calculations were able to give an answer to the crucial question, ''is the biradical an intermediate or a transition state?'' together with the localization of the two radicals. This full article is a response to the ''Comment on ''trans-1,2-Disiloxybenzocyclobutene, an adequate partner for the auto-oxidation: EPR/spin trapping and theoretical studies'' by J. Drujon et al., Phys. Chem. Chem. Phys. 2014, 16, 7513''.

Domains: Theoretical and/or physical chemistry

Paola Nava, Yannick Carissan, Beátrice Tuccio, Laurent Commeiras, Jean-Luc Parrain. Reply to the ‘Comment on “trans-1,2-Disiloxybenzocyclobutene, an adequate partner for the auto-oxidation: EPR/spin trapping and theoretical studies”’ by H.-G. Korth, P. Mulder and T. Paul, Phys. Chem. Chem. Phys., 2017, 19 , C6CP04187F. Physical Chemistry Chemical Physics, 2017, 19 (4), pp.3409-3413. ⟨10.1039/c6cp07923g⟩. ⟨hal-01651059⟩