Incorporating BIRD-based homodecoupling in the dual-optimized, inverted 1JCC 1,n-ADEQUATE experiment

Josep Sauri, Wolfgang Bermel, Teodor Parella, R. Thomas Williamson, Gary E. Martin

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Resum

1,n-ADEQUATE is a powerful NMR technique for elucidating the structure of proton-deficient small molecules that can help establish the carbon skeleton of a given molecule by providing long-range three-bond (CC)-C-13-C-13 correlations. Care must be taken when using the experiment to identify the simultaneous presence of one-bond (CC)-C-13-C-13 correlations that are not filtered out, unlike the HMBC experiment that has a low-pass J-filter to filter (1)J(CH) responses out. Dual-optimized, inverted (1)J(CC) 1,n-ADEQUATE is an improved variant of the experiment that affords broadband inversion of direct responses, obviating the need to take additional steps to identify these correlations. Even though ADEQUATE experiments can now be acquired in a reasonable amount of experimental time if a cryogenic probe is available, low sensitivity is still the main impediment limiting the application of this elegant experiment. Here, we wish to report a further refinement that incorporates real-time bilinear rotation decoupling-based homodecoupling methodology into the dual-optimized, inverted (1)J(CC) 1,n-ADEQUATE pulse sequence. Improved sensitivity and resolution are achieved by collapsing homonuclear proton-proton couplings from the observed multiplets for most spin systems. The application of the method is illustrated with several model compounds.
Idioma originalAnglès
Pàgines (de-a)1029-1036
Nombre de pàgines8
RevistaMagnetic Resonance in Chemistry
Volum56
Número10
Data online anticipada13 de març 2018
DOIs
Estat de la publicacióPublicada - 14 de set. 2018
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