Search results for "Magnetic dipole–dipole interaction"
showing 3 items of 13 documents
SIMPRE1.2: Considering the hyperfine and quadrupolar couplings and the nuclear spin bath decoherence
2016
SIMPRE is a fortran77code which uses an effective electrostatic model of point charges to predict the magnetic behavior of rare-earth-based mononuclear complexes. In this manuscript, we present SIMPRE1.2, which now takes into account two further phenomena.Firstly, SIMPRE now considers the hyperfine and quadrupolar interactions within the rare-earth ion, resulting in a more complete and realistic set of energy levels and wave functions. Secondly,and in order to widen SIMPRE’s predictive capabilities regarding potential molecular spin qubits, it now includes a routine that calculates an upper-bound estimate of the decoherence time considering only the dipolar coupling between the electron spi…
Rotation of Molecules and Nuclear Spin Relaxation
1978
Nuclear spin relaxation has been developed as a standard method for studying molecular motions in liquids, solids, polymers, and—to a lesser extent—gases, staring with the pioneering work of Bloembergen, Purcell, and Pound [1]. Of the great variety of molecular motions possible (e.g., translations, rotations, vibrations) rotations are particularly important for nuclear spin relaxation. Conversely, nuclear spin relaxation can be especially successful if information about rotational motions is desired. In this case nuclear spin relaxation can yield quantitative information over an extraordinary wide range of characteristic frequencies, from about 1 Hz to 1014Hz. It shoud be noted that, typica…
NMR Matrix Technique for Detecting Self Diffusion in Polymers
1979
A technique is discussed where monodisperse small spheres or cylindrical fibers of a polymer are embedded in a matrix of the corresponding fully deuterated polymer. On annealing the sample at a temperature above the glass transition the protonated macromolecules diffuse into the deuterated matrix and vice versa. Since the NMR spectrum depends upon the intermolecular proton proton dipolar coupling, the decrease of this coupling can be used to monitor the diffusion process. For particle diameters d ∼ 10−4 cm and annealing times t ∼ 105 s, extremely small diffusion constants D < d2/t are attainable. The NMR analysis of prospective diffusion experiments with polystyrene is discussed in some det…