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Homonuclear decoupled INADEQUATE NMR methods with improved sensitivity and resolution in solid-state NMR.
J Magn Reson
December 2024
Univ. Lille, CNRS, Centrale Lille, Univ. Artois, UMR 8181, UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille, France. Electronic address:
The two-dimensional (2D) refocused INADEQUATE NMR experiment, which correlates double-quantum (DQ) and single-quantum (SQ) coherences, is widely used to probe the chemical connectivities in solids. Nevertheless, the multiplets along the F dimension reduce the resolution and sensitivity of this experiment. The Composite-Refocusing (CR) technique with two excitation pulses has been proposed to suppress these multiplets in 2D INADEQUATE spectra of liquids.
View Article and Find Full Text PDFNMR Relaxation to Probe Zeolites: Mobility of Adsorbed Molecules, Surface Acidity, Pore Size Distribution and Connectivity.
Molecules
November 2024
Department of Nuclear Physics Research Methods, Saint Petersburg State University, 7/9 Universitetskaya nab., Saint Petersburg 199034, Russia.
Unique structural and chemical properties, such as ion exchange, developed inner surface, etc., as well as the wide possibilities and flexibility of regulating these properties, cause a keen interest in zeolites. They are widely used in industry as molecular sieves, ion exchangers and catalysts.
View Article and Find Full Text PDFControlled synthesis and characterization of porous silicon nanoparticles for dynamic nuclear polarization.
Nanoscale
October 2024
Department of Technical Physics, University of Eastern Finland, Kuopio, Finland.
Si nanoparticles (NPs) have been actively developed as a hyperpolarized magnetic resonance imaging (MRI) contrast agent with an imaging window close to one hour. However, the progress in the development of NPs has been hampered by the incomplete understanding of their structural properties that correspond to efficient hyperpolarization buildup and long polarization decays. In this work we study dynamic nuclear polarization (DNP) of single crystal porous Si (PSi) NPs with defined doping densities ranging from nominally undoped to highly doped with boron or phosphorus.
View Article and Find Full Text PDFAtomistic Compositional Details and Their Importance for Spin Qubits in Isotope-Purified Silicon Quantum Wells.
Adv Sci (Weinh)
November 2024
Institut für Experimentelle und Angewandte Physik, Universität Regensburg, 93040, Regensburg, Germany.
Understanding crystal characteristics down to the atomistic level increasingly emerges as a crucial insight for creating solid state platforms for qubits with reproducible and homogeneous properties. Here, isotope concentration depth profiles in a SiGe/Si/SiGe heterostructure are analyzed with atom probe tomography (APT) and time-of-flight secondary-ion mass spectrometry down to their respective limits of isotope concentrations and depth resolution. Spin-echo dephasing times and valley energy splittings E around have been observed for single spin qubits in this quantum well (QW) heterostructure, pointing toward the suppression of qubit decoherence through hyperfine interaction with crystal host nuclear spins or via scattering between valley states.
View Article and Find Full Text PDF-Silanide f-Block Complexes: Insights into Paramagnetic Influence on NMR Chemical Shifts.
JACS Au
July 2024
Department of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, U.K.
The paramagnetism of f-block ions has been exploited in chiral shift reagents and magnetic resonance imaging, but these applications tend to focus on H NMR shifts as paramagnetic broadening makes less sensitive nuclei more difficult to study. Here we report a solution and solid-state (ss) Si NMR study of an isostructural series of locally -symmetric early f-block metal(III) -hypersilanide complexes, [M{Si(SiMe)}(THF)] (; M = La, Ce, Pr, Nd, U); were also characterized by single crystal and powder X-ray diffraction, EPR, ATR-IR, and UV-vis-NIR spectroscopies, SQUID magnetometry, and elemental analysis. Only one SiMe signal was observed in the Si ssNMR spectra of , while two SiMe signals were seen in solution Si NMR spectra of and .
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