2D <i>J</i>–INEPT NMR Spectroscopy for CD<sub>n</sub> Groups: A Theoretical Study
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Abstract
2D <i>J</i>–INEPT NMR experiment is a combination of heteronuclear 2D <i>J</i>–Resolved and INEPT experiments. In this study, 2D <i>J</i>–INEPT experiment was analytically investigated by using product operator theory for weakly coupled IS<sub>n</sub> (<i>I</i> = ½, <i>S</i>=1; <i>n</i> = 1, 2, 3) spin systems. The obtained theoretical results represent the FID values of CD, CD<sub>2</sub> and CD<sub>3</sub>groups. In order to make Fourier transform of the obtained FID values, a Maple program is used and then simulated spectra for of 2D <i>J</i>–INEPT experiment are obtained for CD, CD<sub>2</sub> and CD<sub>3</sub> groups. It is found that 2D <i>J</i>–INEPT is a useful experiment for both polarisation transfer and 2D <i>J</i>–resolved spectral assignment for CD<sub>n</sub> groups in complex molecules.
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