Development of broadband proton-decoupled CLIP/CLAP-HSQC methods for the precise determination of one-bond heteronuclear coupling constants | NMR Facility

One-bond heteronuclear coupling constants (1JXH és 1DXH) provide important structural and dynamical information about the molecules. In the CLIP/CLAP-HSQC experiments, which are widely used for the measurement of one-bond heteronuclear couplings, broadband homonuclear decoupling was achieved by applying an appropriate combination of BIRDd pulse sequence element and a non-selective 180° proton pulse. With these novel methods, the determination of one-bond heteronuclear coupling constants is simplified to the measurement of frequency differences between singlet maxima. As a result, accurate and reliable coupling values are provided even in the case of molecules with complex proton-proton coupling network.

I. Timári, L. Kaltschnee, M. H. Raics, F. Roth, N. G. A. Bell, R. W. Adams, M. Nilsson, D. Uhrin, G. A. Morris, C. M. Thiele and K. E. Kövér:

Real-time broadband proton-homodecoupled CLIP/CLAP-HSQC for automated measurement of heteronuclear one-bond coupling constants

RSC Adv., 2016, 6, 87848-87855.

L. Kaltschnee, A. Kolmer, I. Timári, V. Schmidts, R. W. Adams, M. Nilsson, K. E. Kövér, G. A. Morris and C. M. Thiele:

"Perfecting" pure shift HSQC: full homodecoupling for accurate and precise determination of heteronuclear couplings

Chem. Commun., 2014, 50, 15702-15705.

I. Timári, L. Kaltschnee, A. Kolmer, R. W. Adams, M. Nilsson, C. M. Thiele, G. A. Morris and K. E. Kövér:

Accurate determination of one-bond heteronuclear coupling constants with "pure shift" broadband proton-decoupled CLIP/CLAP-HSQC experiments

J. Magn. Reson., 2014, 239, 130-138.