An Uncanny Dehydrogenation Mechanism: Polar Bond Control over Stepwise or Concerted Transition States.
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DOI: 10.1021/acs.inorgchem.6b01800
Abstract: The mechanism of the dehydrogenation of N-heterocycles with the recently established bifunctional catalyst (iPrPNP)Fe(CO)(H) was investigated through experiments and density functional theory calculations (iPrPNP = iPr2PCH2CH2NCH2CH2PiPr2). In this system, the saturated N-heterocyclic substrates are completely… read more here.
Keywords: dehydrogenation; transition; mechanism; bond ... See more keywords