Product Operator Theory for Spin‐5/2 Nuclei: Application to 2D J‐Resolved NMR Spectroscopy

Abstract

Product operator theory is a simple quantum mechanical method that has often been used to analytically describe multi‐pulse NMR experiments for weakly coupled spin systems. Considering the existence of 2D‐J resolved NMR spectra of aqueous solutions containing S = 5/2 nuclear spins, the product operator formalism has been extended to the weakly coupled IS (I = 1/2, S = 5/2) spin system. The evolution of I_x, I_y, I_xS_z and I_yS_z product operators under spin–spin coupling Hamiltonian are given here. The analytical results obtained are applied to the well‐known gated decoupler pulse sequence for heteronuclear 2D‐J resolved NMR spectroscopy.

Keywords:

• Product operator formalism
• NMR
• J‐Resolved
• IS_n spin system