A Theoretical Investigation of 2D MAXY-JRES NMR Spectroscopy of CDNCDM Groups

Abstract

There exists a variety of multiple-pulse NMR experiments for spectral editing of complex molecules in solution. Maximum quantum correlation NMR (MAXY NMR) spectroscopy is one of the techniques for distinguishing CH<inf>n</inf> 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-/RES NMR spectroscopy, which is the combination of MAXY NMR and homonuclear J-resolved NMR spectroscopy, is used. in this study, product operator description of 2D MAXY-/RES NMR spectroscopy is performed for IS<inf>n</inf>I'S'<inf>m</inf> (I = I’ =1/2: S = S’ = 1, n = 1,2,3;m = 1,2) multi-spin systems. Experimental suggestions are made and simulated spectra are presented for the 2D MAXY-/RES NMR experiment. Therefore, it is shown that 2D MAXY-/RES NMR spectroscopy can be used to distinguish CD, CD<inf>2</inf> and CD<inf>3</inf> groups from each other in CDnCD<inf>m</inf> groups. © 2014, Verlag der Zeitschrift für Naturforschung. All rights reserved.