2D MAXY-JRES NMR spectroscopy of CHnCHm (CA nCXm) groups: Product operator theory and simulation

Abstract

There exist a variety of multi-pulse NMR experiments for spectral editing of complex molecules in solution. Maximum quantum correlation NMR spectroscopy (MAXY NMR) is one of the techniques for distinguishing CHn groups by editing 1H NMR spectra. Spectral assignments of 2D homonuclear J-resolved NMR spectroscopy become too difficult, due to complex overlapping spectra. In order to overcome this problem a new technique called 2D MAXY-JRES NMR spectroscopy, which is the combination of MAXY NMR and homonuclear J-resolved NMR spectroscopy techniques, is used. In this study, product operator theory of 2D MAXY-JRES NMR spectroscopy is performed for ISnI? S?m(I = I? = S = S? = 1/2; n = 1, 2; m = 1,2,3) multi-spin systems. By using obtained theoretical results, simulated spectra of 2D MAXY-JRES NMR spectroscopy are presented for several CHnCH m (CAnCXm) groups. © TÜBİTAK.