Calculated reaction profiles for hydrogenation of anthracene mediated by monohydride intermediate in the low-valent Co-IPr system with (a) Co(0) and (b) Co(I) center

August 15, 2024

• Title:       

  Calculated reaction profiles for hydrogenation of anthracene mediated by monohydride intermediate in the low-valent Co-IPr system with (a) Co(0) and (b) Co(I) center

• Image Source:

  Chromium- and Cobalt-Catalyzed, Regiocontrolled Hydrogenation of Polycyclic Aromatic Hydrocarbons A Combined Experimental and Theoretical Study

• Mark:

  Figure 6

• Associated context:

  Our extensive calculations indicate that the kinetically most favorable mechanism of anthracene hydrogenation is mediated also by Co(0) monohydride species, as shown in Figure 6.