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Interconversion between Ruthenacyclohexadiene and Ruthenabenzene: A Combined Experimental and Theoretical Study

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NIAID Data Ecosystem2026-03-09 收录
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https://figshare.com/articles/dataset/Interconversion_between_Ruthenacyclohexadiene_and_Ruthenabenzene_A_Combined_Experimental_and_Theoretical_Study/2246341
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资源简介:
Treatment of ruthenabenzene [(C9H6NO)­Ru­{CC­(PPh3)­CHC­(PPh3)­CH}­(C9H6NO)­(PPh3)]­Cl2 (1) with NaBH4 produces the first ruthenacyclohexa-1,4-diene [(C9H6NO)­Ru­{CC­(PPh3)­CH2C­(PPh3)­CH}­(C9H6NO)­(PPh3)]Cl (2), which was fully characterized. Under an oxygen atmosphere, complex 2 can easily convert to complex 1. DFT calculations were carried out to rationalize the high regioselectivity in the reaction of the ruthenabenene 1 with NaBH4 and the interconversion between 1 and 2.
创建时间:
2014-10-13
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