Accurate Measurements of Heteronuclear 13C- 1H Coupling Constants by Phase-sensitive HMQC and HSQC Spectra

Abstract

Abstract: Phase sensitive HMQC(Heteronuclear Multiple-Quantum Coherence) and HSQC(Heteronuclear Single-Quantum Coherence) experiments with t₁ noise reduction are proposed for the accurate measurement of heteronuclear one bond ¹³C₁Hcoupling constants. The resulting 2D spectra give anti-phase splittings of heteronuclear one-bond couplings along ω₂-dimension, so that the precision of coupling constant measurement is less subject to the residual t₁-noise. By combining use of data-fitting procedure on a spectrum with enough digital resolution and signal-to-noise ratio, a precision of about 0.03 Hz can be achieved in the measurement of heteronuclear one-bond coupling constants. The proposed method can be very useful for the study of residual dipolar couplings caused by the alignment in high magnetic field and the dynamic frequency shift caused by the cross correlation between chemical shift and spin dipolar interactions.

Key words: Heteronuclear coupling constants, HMQC, HSQC, Inverse detection, NMR

CLC Number:

O657.2

TrendMD:

DING Ke-Yang . Accurate Measurements of Heteronuclear ¹³C- ¹H Coupling Constants by Phase-sensitive HMQC and HSQC Spectra[J]. Chem. J. Chinese Universities, 2001, 22(5): 863.

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Accurate Measurements of Heteronuclear ¹³C- ¹H Coupling Constants by Phase-sensitive HMQC and HSQC Spectra

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