2D <i>J</i>–INEPT NMR Spectroscopy for CD<sub>n</sub> Groups: A Theoretical Study

Abstract

2D J-INEPT NMR experiment is a combination of heteronusclear 2D J-Resolved and INEPT experiments. In this study, 2D J-INEPT experiment was analytically investigated by using product operator theory for weakly coupled IS n (I = 1/2, S = 1; n = 1, 2, 3) spin systems. The obtained theoretical results represent the FID values of CD, CD 2 and CD 3 groups. In order to make Fourier transform of the obtained FID values, a Maple program is used and then simulated spectra for of 2D J-INEPT experiment are obtained for CD, CD 2 and CD 3 groups. It is found that 2D J-INEPT is a useful experiment for both polarisation transfer and 2D J-resolved spectral assignment for CD n groups in complex molecules.