RT journal article
T1 Activation of Dichloromethane by a Bis-NHC Cp*Ru Complex: Formation of a Pentamethyl(chloromethyl)cyclopentadiene Ligand
A1 García Algarra, Andrés
A1 García Galindo, Juan Carlos
A1 Puerta, M. Carmen
A1 Valerga Jiménez, Pedro Sixto
A1 Jiménez Tenorio, Manuel
A2 Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica
A2 Química Orgánica
AB 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.
PB AMER CHEMICAL SOC
SN 0276-7333
YR 2021
FD 2021-08
LK http://hdl.handle.net/10498/25880
UL http://hdl.handle.net/10498/25880
LA eng
NO This research was supported by Junta de Andalucia (PAIDI FQM188). A.G.A. acknowledges financial support from the Ministerio de Ciencia e Innovacion for project PID2019-107006GB-C22. The University of Cadiz is acknowledged for the provision of computing resources. We wish to thank Rocio Gonzalez Moya for efficient assistance in laboratory experiments.
DS Repositorio Institucional de la Universidad de Cádiz
RD 07-nov-2026