Product operator descriptions of the 2D DEPT J-resolved NMR experiment for weakly coupled ISn (I=1/2, S=3/2; n=1, 2, 3) spin systems

TOKATLI A., BAHÇELİ S.

PHYSICA SCRIPTA, vol.81, no.2, 2010 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 81 Issue: 2
  • Publication Date: 2010
  • Doi Number: 10.1088/0031-8949/81/02/025801
  • Journal Name: PHYSICA SCRIPTA
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Süleyman Demirel University Affiliated: Yes

Abstract

There are a variety of multi-pulse nuclear magnetic resonance (NMR) experiments for spectral assignment of complex molecules in a solution. The two-dimensional (2D) distortionless enhancement by polarization transfer (DEPT) J-resolved NMR experiment is a C-13-detected, spectral editing polarization transfer technique. The product operator theory is widely used for an analytical description of the multi-pulse NMR experiment for weakly coupled spin systems. In this study, analytical descriptions of the 2D DEPT J-resolved NMR experiment for weakly coupled ISn (I = 1/2, S = 3/2; n = 1, 2, 3) spin systems using the product operator theory have been introduced for the first time. The calculated intensities and positions of the observable signals are simulated for molecules containing [C-13 (I = 1/2), Br-81 (S = 3/2)] nuclei by using a MAPLE program on a computer. Finally, we present a theoretical discussion and experimental suggestions.