title: Analytical theory of gamma-encoded double-quantum recoupling sequences in solid-state nuclear magnetic resonance.
abstract: Many important double-quantum recoupling techniques in solid-state NMR are classified as being gamma-encoded. This means that the phase of the double-quantum effective Hamiltonian, but not its amplitude, depends on the third Euler angle defining the orientation of the molecular spin system in the frame of the magic-angle-spinning rotor. In this paper, we provide closed analytical solutions for the dependence of the powder-average double-quantum-filtered signal on the recoupling times, within the average Hamiltonian approximation for gamma-encoded pulse sequences. The validity of the analytical solutions is tested by numerical simulations. The internuclear distance in a (13)C(2)-labelled retinal is estimated by fitting the analytical curves to experimental double-quantum data.
authors.affiliation: School of Chemistry, Southampton University, SO17 1BJ, UK.
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Pileio
authors.forename: Maria
authors.initials: M
authors.lastname: Concistrè
authors.forename: Neville
authors.initials: N
authors.lastname: McLean
authors.forename: Axel
authors.initials: A
authors.lastname: Gansmüller
authors.forename: Richard C D
authors.initials: RC
authors.lastname: Brown
authors.forename: Malcolm H
authors.initials: MH
authors.lastname: Levitt
mesh_terms: D000465:Algorithms; D003198:Computer Simulation; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D008958:Models, Molecular; D011208:Powders; D011789:Quantum Theory; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity
chemical_list: D011208:Powders