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

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Figshare2016-02-16 更新2026-04-29 收录
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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.

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2016-02-16
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