期刊
ORGANOMETALLICS
卷 40, 期 15, 页码 2405-2408出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.organomet.1c00340
关键词
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资金
- Junta de Andalucia [PAIDI FQM188]
- Ministerio de Ciencia e Innovacion [PID2019-107006GB-C22]
At room temperature, the dinitrogen complex [{Cp*Ru(L)}(2)(mu-N-2)]-[BPh4](2) (L = bis(3-methylimidazol-2-ylidene) reacts with dichloromethane to form the diene derivative [Ru(eta(4), kappa(1)-Cl-C5Me5CH2Cl)Cl(L)][BPh4]. DFT computations revealed that while the cleavage of the C-Cl bond is not thermodynamically favored, the subsequent migration step is exergonic, driving the formation of the observed product.
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.
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