Natural abundance 13C and 15N solid-state NMR analysis of paramagnetic transition-metal cyanide coordination polymers
文献信息
Pedro M. Aguiar, Michael J. Katz, Daniel B. Leznoff, Scott Kroeker
The 13C and 15N MAS NMR spectra of a series of well-characterized paramagnetic metal cyanide coordination polymers are acquired at natural abundance, without the need for polarization transfer methods such as cross-polarization or INEPT. For systems where the paramagnetic centre is outside of the cyanide framework, well-resolved 13C and 15N spectra of cyanide ligands are obtained. Chemical shifts deviate from typical diamagnetic cyanide ranges and depend only partly on the cyanide coordination type, being dominated by their proximity to the paramagnetic center. A combination of the observed isotropic chemical shifts, their temperature dependence, and transverse relaxation time constants (T2) provides valuable local structural information and lays the foundation for the structural elucidation of unknown paramagnetic metal–cyanide coordination polymers. Toward this end, we apply these solid-state NMR techniques to a pair of compounds without a priori knowledge of the structures.
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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.














