%0 Journal Article 
%A García Algarra, Andrés
%A García Galindo, Juan Carlos
%A Puerta, M. Carmen
%A Valerga Jiménez, Pedro Sixto
%A Jiménez Tenorio, Manuel
%T Activation of Dichloromethane by a Bis-NHC Cp*Ru Complex: Formation of a Pentamethyl(chloromethyl)cyclopentadiene Ligand
%D 2021
%@ 0276-7333

%U http://hdl.handle.net/10498/25880
%X The dinitrogen complex [{Cp*Ru(L)}(2)(mu-N-2)]-[BPh4](2) (L = bis(3-methylimidazol-2-ylidene) reacts with dichloro-methane at room temperature, furnishing the diene derivative [Ru(eta(4), kappa(1)-Cl-C5Me5CH2Cl)Cl(L)][BPh4] as result of CH2Cl2 oxidative addition and subsequent migration of the chloromethyl group into the Cp* ring. Mechanistic insight provided by DFT computations indicate that while the cleavage of the C-Cl bond is not thermodynamically favored, the subsequent migration step is largely exergonic and thus provides the driving force for the formation of the observed product.
%~ Universidad de Cádiz