title: Cross-correlation effects involving curie spin relaxation in methyl groups.
abstract: Cross-correlation effects arising in methyl protons due to the simultaneous presence of dipole-dipole, chemical shift anisotropy, and Curie spin relaxation mechanisms in paramagnetic systems are analyzed. We assess the potential of obtaining structural constraints from the cross-correlation of Curie spin relaxation with dipolar relaxation mechanisms among methyl proton spins. By theoretical analysis and numerical simulations we characterize the transfer functions describing the interconversion processes of different ranks of multispin order. The time dependence of these processes contains a new type of structural information, the orientation of the methyl C(3)-axis with respect to the electron center. Experimental confirmation is found for selected methyl groups in low spin Fe(3+) sperm whale myoglobin.
authors.affiliation: Institut für Chemie, Johannes Kepler Universität, Linz, Austria.
authors.forename: P K
authors.initials: PK
authors.lastname: Madhu
authors.forename: Pravat K
authors.initials: PK
authors.lastname: Mandal
authors.forename: Norbert
authors.initials: N
authors.lastname: Müller
mesh_terms: D000818:Animals; D016880:Anisotropy; D004578:Electron Spin Resonance Spectroscopy; D009211:Myoglobin / Q000737:chemistry*; D011522:Protons; D014907:Whales
chemical_list: D009211:Myoglobin; D011522:Protons