Activation of H2 over the Ru−Zn Bond in the Transition Metal−Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt]+
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https://figshare.com/articles/dataset/Activation_of_H_sub_2_sub_over_the_Ru_Zn_Bond_in_the_Transition_Metal_Lewis_Acid_Heterobimetallic_Species_Ru_IPr_sub_2_sub_CO_ZnEt_sup_sup_/3761874
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Reaction of [Ru(IPr)2(CO)H]BArF4 with ZnEt2 forms the heterobimetallic species [Ru(IPr)2(CO)ZnEt]BArF4 (2), which features an unsupported Ru-Zn bond. 2 reacts with H2 to give [Ru(IPr)2(CO)(η2‑H2)(H)2ZnEt]BArF4 (3) and [Ru(IPr)2(CO)(H)2ZnEt]BArF4 (4). DFT calculations indicate that H2 activation at 2 proceeds via oxidative cleavage at Ru with concomitant hydride transfer to Zn. 2 can also activate hydridic E-H bonds (E = B, Si), and computed mechanisms for the facile H/H exchange processes observed in 3 and 4 are presented.
创建时间：
2016-08-31
