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. Author manuscript; available in PMC: 2012 Sep 22.
Published in final edited form as: J Phys Chem A. 2011 Aug 26;115(37):10345–10352. doi: 10.1021/jp204969d

Figure 8.

Figure 8

Simulations of 2H Mims ENDOR spectra for D2 and D5 of Im1 and D5 of Im2 (solid traces), assuming ghf to correspond to the g-frame axis Zg (//Zm). The simulation parameters for D2 and D5 of Im1 are the same as those in Figure 7. Simulation parameters for D5 of Im2: aiso = 0 MHz; T⊥ = −0.18 MHz; e2Qq/h = 0.18 MHz; η= 0; θh = 44°; ϕh = −5°; θq = 60°; ϕq = 20°. Other simulation parameters are the same as in Figure 7. The simulated spectra were convoluted with a Gaussian line with the width of 0.05 MHz between the maximum slope points. Dashed traces, symmetrized experimental spectra reproduced from Figure 3.