H2 oxidation versus organic substrate oxidation in non-heme iron mediated reactions with H2O2

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Hassanpour, Azin
orcId Acuña-Parés, Ferran​ ​ scopusId Acuña-Parés, Ferran​ ​
Acuña-Parés, Ferran
orcId Luis Luis, Josep Maria​ researcherId Luis Luis, Josep Maria​ scopusId Luis Luis, Josep Maria​ ​
Luis Luis, Josep Maria
orcId Cussó Forest, Olaf​ researcherId Cussó Forest, Olaf​ ​ ​
Cussó Forest, Olaf
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Morales de la Rosa, Silvia
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Campos Martín, José Miguel
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Fierro, Jose L.G.
orcId Costas Salgueiro, Miquel​ researcherId Costas Salgueiro, Miquel​ scopusId Costas Salgueiro, Miquel​ ​
Costas Salgueiro, Miquel
orcId Lloret Fillol, Julio​ researcherId Lloret Fillol, Julio​ scopusId Lloret Fillol, Julio​ ​
Lloret Fillol, Julio
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Mas-Ballesté, Rubén
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Herein we show that species generated upon reaction of α-[Fe(CF3SO3)2(BPMCN)] (BPMCN = N,N′-bis(2-pyridylmethyl)-trans-1,2-diaminocyclohexane) with H2O2 (putatively [FeV(O)(OH)(BPMCN)]) is able to efficiently oxidize H2 to H2O even in the presence of organic substrates, while species formed in the presence of acetic acid (putatively [FeV(O)(OAc)(BPMCN)]) prefer organic substrate oxidation over H2 activation. Mechanistic implications have been analysed with the aid of computational methods ​
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