High-resolution two-dimensional correlation spectroscopy in inhomogeneous fields: new application of intermolecular zero-quantum coherences

J Chem Phys. 2010 Apr 7;132(13):134507. doi: 10.1063/1.3374409.

Abstract

A new pulse sequence is proposed based on intermolecular zero-quantum coherences (iZQCs) to obtain high-resolution two-dimensional (2D) correlation spectroscopy (COSY) in inhomogeneous fields via three-dimensional (3D) acquisition. This sequence extends the high-resolution iZQC approaches from one dimension to two dimensions. Since the iZQC evolution periods in the new sequence are insensitive to the field inhomogeneities, high-resolution COSY spectra can be recovered from inhomogeneous fields by projecting the 3D data onto the indirectly acquired 2D plane. Theoretical expressions were derived according to the distant dipolar field treatment combined with product operator formalism. Both the experimental observations and computer simulations are consistent with the theoretical predictions. The new sequence thus provides an attractive way to eliminate the influences of field inhomogeneity on the conventional COSY methods, which may be useful for the study of chemical and biological materials.