Selective internuclear coupling estimation in the solid-state NMR of multiple-spin systems
文献情報
Andrea C. Sauerwein, Maria Concistrè, Malcolm H. Levitt
A new solid-state NMR method is presented for estimating homonuclear dipole–dipole couplings for selected groups of nuclear spins in a multiple-spin coupled network. The methodology combines off-magic-angle spinning, frequency selective spin echoes, and multiple quantum filtering. The new method is insensitive to incoherent relaxation effects and may be used to estimate weak couplings. Internuclear 13C–13C couplings are estimated in uniformly 13C-labelled L-Histidine·HCl·H2O. Weak intermolecular couplings between 13C nuclei separated by distances exceeding 6 Å are estimated.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














