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. 2015 Jun 2;137(25):8284–8293. doi: 10.1021/jacs.5b04511

Table 1. ZFS Parameters and Relative Zero-Field Sublevel Populations for P1 and Linear Oligomers P2–P6 Determined through Simulation of the Transient EPR Spectra Shown in Figure 2.

  |D| [MHz] |E| [MHz] pX:pY:pZa
P1 898 ± 5 161 ± 2 0.05:0.00:0.95
P2 1117 ± 9 284 ± 2 0.90:0.00:0.10
P3 1169 ± 7 269 ± 2 0.53:0.00:0.47
P4 1195 ± 8 273 ± 2 0.47:0.00:0.53
P5 1201 ± 8 254 ± 2 0.24:0.00:0.76
P6 1199 ± 9 260 ± 3 0.26:0.00:0.74
a

The error on the relative sublevel populations is approximately 0.02.