Numerical simulation of free evolution in solid-state nuclear magnetic resonance using low-order correlations in Liouville space
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A series of salts composed of the coordinatively unsatd. areneruthenium β-diketiminato cation and different anions, [(η6-C6H6)Ru(ArN:CMeCHCMe:NAr)][X] (1-4; Ar = 2,6-dimethylphenyl; X = OTf-, BF4-, PF6-, BPh4-) and [(η6-C6H6)Ru(ArN:CMeCHCMe:NAr)][BArF4] [5 ...
The molecular dynamics of a series of organometallic complexes covalently bound to amorphous silica surfaces is determined experimentally using solid-state nuclear magnetic resonance (NMR) spectroscopy and density functional theory calculations (DFT). The ...
Solution-state nuclear magnetic resonance method for singlet-state nuclear magnetic resonance-spectroscopy, involves performing transformation of zero-quantum coherences into singlet-state populations by radio frequency irradiation ...
A heteronuclear double-resonance (HDR) method based on MLEV-32 or WALTZ-32 pulse sequences has been designed for the investigation of relaxation of heteronuclear multiple-quantum (MQ) coherences. The theoretical analysis of this technique uses average Hami ...
We demonstrate that heteronuclear decoupling using a Phase-Inverted Supercycled Sequence for Attenuation of Rotary Resonance (PISSARRO) is very efficient at high spinning frequencies (v(rot) = 60 kHz) and high magnetic fields (900 MHz for protons at 21 T) ...
Multiple refocusing cycles can be used to extract transverse relaxation rates, R2, while homonuclear scalar couplings do not interfere. In this work, I have demonstrated the usefulness of a hybrid sequence, which is a compromise between single and multiple ...
Simulation of the coherent dynamics of a large lattice of strongly coupled nuclear spins is demonstrated. The evolution of N spins is simulated in a reduced Liouville space X which excludes coherences involving more than k spins, where k < N is chosen to ...
The modulation of spin echoes by homonuclear scalar couplings render the determination of transverse relaxation rates of individual spins difficult, in particular for molecules that are isotopically enriched in 13C or 15N, and for all molecules with scalar ...
Nuclear magnetic relaxation in the presence of paramagnetic centres has gained increasing interest in recent years partly due to its importance for contrast agents in magnetic resonance imaging. Rational design of new more efficient agents is possible as a ...
We study the near-field optical behavior of Fabry-Perot resonances in thin metal nanowires, also referred to as quasi one-dimensional plasmonic nanoantennas. From eigenmodes well beyond quadrupolar order we extract both, propagation constant and reflection ...