Skip to main content
. Author manuscript; available in PMC: 2019 Nov 21.
Published in final edited form as: J Phys Chem A. 2018 Nov 9;122(46):9107–9114. doi: 10.1021/acs.jpca.8b07163

Figure 2.

Figure 2.

(A) Simulated 15Nfree polarization as a function of CW RF field amplitude, v1, and frequency offset from 15Nbound resonance, vrfv(15Nbound) for a [IrH2S2] SABRE complex, where S = 15N. Note that two distinct extrema occur, symmetric with respect to the frequency of the bound substrate, v(15Nbound). The maximum polarization for kd=30s1, Wa=kd'/17, tCW = 1.17 s and n = 20 occurs at v1=5 Hz and vrfv(15Nbound)=17 Hz. (B) Polarization of SLIC-SABRE as a function of kd' for an [IrH2S2] complex with S=1H (red) and S=15N1H (blue) and the “simple analytical SABRE formula” (dashed line).