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. Author manuscript; available in PMC: 2014 Nov 13.
Published in final edited form as: J Am Chem Soc. 2013 Nov 4;135(45):10.1021/ja408073m. doi: 10.1021/ja408073m

Figure 10.

Figure 10

VB diagrams for (a) HAT between two alkyl radicals, (b) a metal-oxo (M-O) abstracting an H atom from a molecule X-H (where X is an unsaturated-alkyl moiety having π-orbitals), (c) M-O abstracting H from X-H (X = N, O), and (d) a highly basic M-O abstracting H from significantly acidic X-H bonds. The HAT/PCET dichotomy in (b)–(d) is shown by mixing of HAT states (black, unbroken lines) and proton transfer/charge transfer (PT/ET) curves (red, dotted lines), along the reaction coordinate. For simplicity, only one oxygen lone pair is shown on the M-O complex. The PCET curves are anchored in electron transfer (ET) excited states of reactants and products, indicated as ΦET,r and ΦET,p, and in corresponding PT states, ΦPT,p and ΦPT/ET,r, respectively.