FIG. 5.

Simulated and experimental spin dynamics of the creation of heteronuclear singlet states. (a) Experimental dynamics of pumping heteronuclear singlet state at 0 µT on the ¹⁵N channel (red) and ¹³C channel (blue). The black trace is a numerical quantum Monte Carlo simulation including chemical exchange of acetonitrile and p-H₂. (b) Experimental heteronuclear singlet spectra on the ¹⁵N channel (top) and ¹³C channel (bottom) after an 8 ms pulse length. (c) Simulated spectra of singlet states on the ¹⁵N channel (top) and ¹³C channel (bottom).