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The populations of long-lived spin states, in particular, populations of singlet states that are comprised of antisymmetric combinations of product states, ∣αIβS⟩−∣βIαS⟩, are characterized by very long lifetimes because the dipole-dipole interaction betwee ...
The synthesis and characterization of a new metal chelator, 4-(S)-hydroxymethyl-3,6,10-tri(carboxymethyl)-3,6,10-triazadodecanedioic acid (H5EPTPACH2OH), is reported. Protonation constants for the ligand H5EPTPACH2OH and for the previously reported H5EPTPA ...
We developed a short-echo-time (TE) sequence for proton localized spectroscopy by combining a 1D add-subtract scheme with a doubly slice-selective spin-echo (SE) sequence. The sequence preserves the full magnetization available from the selected volume of ...
We show that triple-quantum-single-quantum (TQ-SQ) correlation spectra of crystalline and disordered solids can be obtained under MAS using pulse sequences based on through-bond J-couplings. The feasibility of the experiments in coupled spin-1/2 systems is ...
Motivated by the recent discovery of the spin tube [(CuCl2tachH)3Cl]Cl2, we investigate the properties of a frustrated three-leg spin tube with antiferromagnetic intra- and inter-ring couplings. We pay special attention to the evolution of the properties f ...
We present an EPR study of two Gd(III) complexes in aqueous solution at multiple temperatures and EPR frequencies. These two complexes, [Gd(TPATCN)] and [Gd(DOTAM)(H2O)]3+, display remarkably sharp lines (i.e. slow transverse electron spin relaxation) in c ...
C59N magnetic fullerenes were formed inside single-wall carbon nanotubes by vacuum annealing functionalized C59N molecules encapsulated inside the tubes. A hindered, anisotropic rotation of C59N was deduced from the temperature dependence of the electron s ...
Proton-observed carbon-edited (POCE) NMR spectroscopy is commonly used to measure 13C labeling with higher sensitivity compared to direct 13C NMR spectroscopy, at the expense of spectral resolution. For weakly coupled first-order spin systems, the multiple ...
A DFT-based method is presented which allows the computation of all-electron NMR shifts of metallic compounds with periodic boundary conditions. NMR shifts in metals measure two competing physical phenomena. Electrons interact with the applied magnetic fie ...
We investigate the effect of magic angle spinning on heteronuclear spin decoupling in solids. We use an analytical Floquet-van Vleck formalism to derive expressions for the powder-averaged signal as a function of time. These expressions show that the spect ...