title: One dimensional chemical shift modulated correlation spectroscopy of single-crystals.
abstract: A simple 1D modulation method is presented for determining the spatial correlation of chemical shifts in two different single-crystal orientations. This proposed chemical shift modulated correlation (CSMC) spectroscopy utilizes a Jeener pulse sequence to give 1D spectra containing peaks that are amplitude modulated by the chemical shifts associated with the single-crystal's evolution orientation. Conversely, the spectral frequencies in these 1D CSMC spectra designate the shifts in the crystal's orientation during the detection period. By observing the amplitude modulation of these spectral frequencies, the spatial correlation between the two chemical environments can be established for a specific nucleus from a single 1D spectrum. The CSMC procedure finishes by acquiring a normal 1D static spectrum for the crystal oriented in the evolution direction, thereby providing very accurate evolution frequencies approximated by the amplitude modulation in the CSMC spectra. The CSMC method improves the time efficiency over both the traditional goniometer method and the 2D chemical shift-chemical shift correlation method, and therefore is beneficial for the study of samples with longer T1 values.
authors.affiliation: Department of Chemistry, University of Utah, Salt Lake City 84112, USA.
authors.forename: R J
authors.initials: RJ
authors.lastname: Iuliucci
authors.forename: D M
authors.initials: DM
authors.lastname: Grant
mesh_terms: D000465:Algorithms; D003460:Crystallization; D003461:Crystallography; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D012210:Rhamnose / Q000737:chemistry
chemical_list: D012210:Rhamnose