2D MAXY-JRES NMR Spectroscopy of CHnCHm (CAnCXm) Groups: Product Operator Theory and Simulation

Abstract

There exist a variety of multi-pulse NMRexperiments 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 H-1 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 CHnCHm (CA(n)CX(m)) groups.