Fig. 10.

Panels a, c, and e, the (++) quadrants of the HYSCORE spectra of ³³S-R160Q SO (Species 1) obtained at the g_z, g_y, and g_x EPR turning points, respectively (B_o = 1060.8, 1078.8, and 1088.6 mT, respectively). The spectra shown represent sums of the spectra obtained at time intervals between the first and second mw pulses τ = 170 and 200 ns. Other experimental conditions: ν_mw = 29.650 GHz; mw pulses, 11, 11, 21, and 11 ns; temperature, 20 K. Panels b, d, and f, simulated HYSCORE spectra for g_z, g_y, and g_x at the EPR turning points, respectively. Simulation parameters: a_iso = 2.1 MHz, anisotropic hfi tensor in the principal axes system, (T₁₁, T₂₂, T₃₃ ) = (−4.1, 2.5, 1.6) MHz; e²Qq/h = 36 MHz; η = 0.2; Euler angles for the orientation of the hfi tensor in the g-frame: ϕ_h = 20°, θ_h = 10°, Ψ_h = 20°; Euler angles for the orientation of the nqi tensor with respect to the g-frame: ϕ_q = 90°, θ_q = 90°, Ψ_q = 0°. The simulated spectra (as with the experimental ones) represent sums of the spectra calculated for τ = 170 and 200 ns.

Source: Reprinted with permission from Ref. [25]. Copyright 2008 American Chemical Society.