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 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-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 IS<inf>n</inf>I′ S′<inf>m</inf>(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 CH<inf>n</inf>CH <inf>m</inf> (CA<inf>n</inf>CX<inf>m</inf>) groups. © TÜBİTAK.