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Cross-correlation effects in the solution NMR spectra of near-equivalent spin-1/2 pairs

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arxiv 2208.09213 v1 pith:6A7GAQB2 submitted 2022-08-19 physics.chem-ph

Cross-correlation effects in the solution NMR spectra of near-equivalent spin-1/2 pairs

classification physics.chem-ph
keywords peakspairsspin-1casecross-correlationeffectsinnernear-equivalent
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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The NMR spectra of spin-1/2 pairs contains four peaks, with two inner peaks much stronger than the outer peaks in the near-equivalence regime. We have observed that the strong inner peaks have significantly different linewidths, when measurements were performed on a 13C2-labelled triyne derivative. This linewidth difference may be attributed to strong cross-correlation effects. We develop the theory of cross-correlated relaxation in the case of near-equivalent homonuclear spin-1/2 pairs, in the case of a molecule exhibiting strongly anisotropic rotational diffusion. Good agreement is found with the experimental NMR lineshapes.

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