Spectral editing with 2D E-HMQC NMR spectroscopy for CDn groups: A theoretical study

Abstract

In order to get the simplified spectra for separation of carbonyl groups, the spectral editing of NMR signals has become a useful technique for complex molecules. E-HMQC is a H-1-dedected, edited-pulse angle and two-dimensional NMR experiment which allows the selective detection of CH, CH2 and CH3 signals. The product operator theory is widely used for analytical description of the spectral editing NMR experiments for weakly coupled spin systems. In the present study, analytical descriptions of the 2D H-2-dedected E-HMQC NMR experiment have been presented for weakly coupled ISn (I=1/2; S=1; n=1, 2, 3) spin systems by using the product operator theory. By using obtained FED values, theoretical discussion and experimental suggestions for sub-spectral editing of CD, CD2 and CD3 groups have been made.