title: Rotational resonance NMR of 13C2-labelled retinal: quantitative internuclear distance determination.
abstract: Rotational resonance phenomena are investigated in the solid-state magic-angle spinning NMR of all-E-[11,20-13C2]-retinal at a magnetic field of 4.7 T. We find good agreement between experiments and numerical simulations for the rotational resonance spectral peakshapes and for the rotor-driven magnetization exchange. The internuclear distance between the 13C-labelled C11 and C20 sites is determined to be 0.301 +/- 0.008 nm (from rotational resonance spectra) and 0.300 +/- 0.010 nm (from rotor-driven magnetization exchange), in agreement with the X-ray crystallographic distance of 0.296 nm. We show rotational resonance spectra which display perturbations from intermolecular homonuclear spin-spin interactions.
authors.affiliation: Physical Chemistry Division, Stockholm University, Sweden.
authors.forename: X
authors.initials: X
authors.lastname: Feng
authors.forename: P J
authors.initials: PJ
authors.lastname: Verdegem
authors.forename: Y K
authors.initials: YK
authors.lastname: Lee
authors.forename: M
authors.initials: M
authors.lastname: Helmle
authors.forename: S C
authors.initials: SC
authors.lastname: Shekar
authors.forename: H J
authors.initials: HJ
authors.lastname: de Groot
authors.forename: J
authors.initials: J
authors.lastname: Lugtenburg
authors.forename: M H
authors.initials: MH
authors.lastname: Levitt
mesh_terms: D002247:Carbon Isotopes; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D008968:Molecular Conformation; D012172:Retinaldehyde / Q000737:chemistry*
chemical_list: D002247:Carbon Isotopes; D012172:Retinaldehyde