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. 2015 Jul 29;6(11):6482–6495. doi: 10.1039/c5sc02499d

Table 5. LLIT 13C DNP enhancements polarized at 0.33 T for phenylacetylene/0.001 M and 0.14 M TEMPO45 and aFCvia DFT modeling.

System Nucleus Absolute enhancement a FC a
Phenylacetylene b 13C-β c +1400 ± 210 3.281
13C-α +290 ± 44 0.871
13C-ipso –280 ± 42 0.277
13C-ortho –36 ± 5 0.579
13C-meta –32 ± 5 0.117
13C-para N/A d 0.181

a a FC is the Fermi contact HFC in units of MHz computed as described.

bInverse gated 1H decoupling was employed.

cC-β results are based on measurements of 0.01 M TEMPO solution, while C-α and C-1–3 results are from 0.14 M TEMPO solution.

dC-4 signal is close to zero.