Singlet nuclear magnetic resonance of nearly-equivalent spins
Literature Information
Michael C. D. Tayler, Malcolm H. Levitt
Nuclear singlet states may display lifetimes that are an order of magnitude greater than conventional relaxation times. Existing methods for accessing these long-lived states require a resolved chemical shift difference between the nuclei involved. Here, we demonstrate a new method for accessing singlet states that works even when the nuclei are almost magnetically equivalent, such that the chemical shift difference is unresolved. The method involves trains of 180° pulses that are synchronized with the spin–spin coupling between the nuclei. We demonstrate experiments on the terminal glycine resonances of the tripeptide alanylglycylglycine (AGG) in aqueous solution, showing that the nuclear singlet order of this system is long-lived even when no resonant locking field is applied. Variation of the pulse sequence parameters allows the estimation of small chemical shift differences that are normally obscured by larger J-couplings.
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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.












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