Table 3. LLIT 13C DNP enhancements polarized at 0.33 T for nitrobenzene/cyclohexane/0.1 M TEMPO66 and aFCvia DFT modeling.
System | Nucleus | Absolute enhancement | a FC a |
Nitrobenzene | 13C-ipso | –572 ± 86 | 0.399 |
13C-ortho | +587 ± 88 | 1.424 | |
13C-meta | +198 ± 30 | 0.329 | |
13C-para | +366 ± 55 | 0.418 |
a a FC is the Fermi contact HFC in units of MHz computed as described.