title: NMR spectroscopy in inhomogeneous B0 and B1 fields with non-linear correlation.
abstract: Resolved NMR spectra from samples in inhomogeneous B0 and B1 fields can be obtained with the so-called "ex situ" methodology, employing a train of composite or adiabatic z-rotation RF pulses to periodically refocus the inhomogeneous broadening during the detection of the time-domain signal. Earlier schemes relied on a linear correlation between the inhomogeneous B0 and B1 fields. Here the pulse length, bandwidth, and amplitude of the adiabatic pulses of the hyperbolic secant type are adjusted to improve the refocusing for a setup with non-linear correlation. The field correlation is measured using a two-dimensional nutation experiment augmented with a third dimension with varying RF carrier frequency accounting for off-resonance effects. The pulse optimization is performed with a computer algorithm using the experimentally determined field correlation and a standard adiabatic z-rotation pulse as a starting point for the iterative optimization procedure. The shape of the z-rotation RF pulse is manipulated to provide refocusing for the conditions given by the sample-, magnet-, and RF-coil geometry.
authors.affiliation: Materials Sciences Division, Ernest Orlando Lawrence Berkeley National Laboratory and Department of Chemistry, University of California, Berkeley, CA 94720, USA. daniel.topgaard@fkem1.lu.se
authors.forename: Daniel
authors.initials: D
authors.lastname: Topgaard
authors.forename: Dimitris
authors.initials: D
authors.lastname: Sakellariou
authors.forename: Alexander
authors.initials: A
authors.lastname: Pines
mesh_terms: D019840:2-Propanol / Q000032:analysis*; D000465:Algorithms; D016880:Anisotropy; D045424:Complex Mixtures / Q000032:analysis*; D003198:Computer Simulation; D004574:Electromagnetic Fields; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D015233:Models, Statistical; D017711:Nonlinear Dynamics; D011522:Protons; D012815:Signal Processing, Computer-Assisted; D013223:Statistics as Topic; D014867:Water / Q000032:analysis*
chemical_list: D045424:Complex Mixtures; D011522:Protons; D014867:Water; D019840:2-Propanol