Binuclear Aromatic C−H Bond Activation at a Dirhenium Site |
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Authors: | Dr. Richard D. Adams Dr. Vitaly Rassolov Dr. Yuen Onn Wong |
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Affiliation: | Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC, USA |
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Abstract: | The electronically unsaturated dirhenium complex [Re2(CO)8(μ‐H)(μ‐Ph)] ( 1 ) has been found to exhibit aromatic C?H activation upon reaction with N,N‐diethylaniline, naphthalene, and even [D6]benzene to yield the compounds [Re2(CO)8(μ‐H)(μ‐η1‐NEt2C6H4)] ( 2 ), [Re2(CO)8(μ‐H)(μ‐η2‐1,2‐C10H7)] ( 3 ), and [D6]‐ 1 , respectively, in good yields. The mechanism has been elucidated by using DFT computational analyses, and involves a binuclear C?H bond‐activation process. |
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Keywords: | bridging ligands C− H activation density-functional calculations rhenium structure elucidation |
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