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Theory of long-lived nuclear spin states in solution nuclear magnetic resonance. II. Singlet spin locking
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10.1063/1.3139064
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Affiliations:
1 School of Chemistry, Southampton University, Southampton SO17 1BJ, United Kingdom
a) Electronic mail: mhl@soton.ac.uk. Tel.: +44-23-80596753. FAX: +44-23-80593781.
J. Chem. Phys. 130, 214501 (2009)
/content/aip/journal/jcp/130/21/10.1063/1.3139064
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/21/10.1063/1.3139064
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## Figures

FIG. 1.

Numerical simulations of rate constants for a system of two- in inequivalent chemical sites, irradiated by an unmodulated rf field. The behavior of the long-lived state is shown in bold. The simulation parameters are , , and . (a) The difference in chemical shift frequencies is held fixed at , while the sum of the resonance frequencies is varied. (b) The sum of the two chemical shift frequencies is held fixed at , while the difference in resonance frequencies is varied.

FIG. 2.

Contour plots of the smallest nonzero value of , with , plotted as a function of the two resonance offset frequencies and . The simulation parameters are , and . (a) Unmodulated rf irradiation (cw), with a nutation frequency ; (b) WALTZ-16 irradiation (Ref. 40) with a nutation frequency ; (c) MLEV-16 irradiation (Ref. 37) with a nutation frequency ; (d) rf field with a cosine-modulated amplitude, with a peak nutation frequency and a modulation frequency .

FIG. 3.

Contour plot of the decay rate constant of the long-lived state as a function of the two resonance offset frequencies and , for unmodulated rf irradiation, at small values of the offset frequencies. The simulation parameters are ; , , and . (a) Numerical simulation. (b) Formula given in Eq. (48). (c) Formula given in Eq. (49).

FIG. 4.

Numerical simulations of rate constants for a system of two- in inequivalent chemical sites irradiated by a rf field with WALTZ-16 modulation. The behavior of the long-lived state is shown in bold. The simulation parameters are , , , and . (a) The difference in chemical shift frequencies is held fixed at , while the sum of the resonance frequencies is varied. (b) The sum of the two chemical shift frequencies is held fixed at , while the difference in resonance frequencies is varied.

FIG. 5.

Two expanded regions in Fig. 2(d) showing the rate constant for singlet decay plotted against the two resonance offset parameters for the case of cosine-modulated rf irradiation. (a) Region around the main diagonal. (b) Region around the antidiagonal.

/content/aip/journal/jcp/130/21/10.1063/1.3139064
2009-06-01
2014-04-16

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