Fig. 2:
(A) Fictitious “Chromophore-TEMPO-Trityl” CRa-Rb molecule. The wavy line represents unspecified bonds. (B) Simulated EPR spectra of CRa-Rb in thermal equilibrium (solid black line) with laser irradiation assuming Pe,a = −0.25 (dashed blue line). (C) simulations of the MAS-DNP field profiles using the modified Box model for conventional MAS-DNP (black dots), optically hyperpolarized MAS-DNP (blue squares), and combined μw and optical irradiated hyperpolarization (red diamonds). In all simulations, the optical hyperpolarization leads to Pe,a → −0.75, and for clarity we plot ϵB = −f(B0). Details about the spin system are given in the SI.