Tracking Structural and Electron Spin Density Changes in a Cooperative Mn³⁺ Spin Crossover Complex at Atomic Scale via Low Temperature Solid-State NMR.

ABSTRACT: Electron spin-state changes in transition-metal (TM) complexes underpin many biochemical processes and molecular spin-control technologies. Such transitions, triggered by external stimuli like temperature, light, or pressure, alter both the molecular structure and electron spin density (ESD) distribution. Paramagnetic NMR offers atomic-scale insights into these changes, yet traditional solution-state measurements bear limitations due to solvent effects, unaccounted lattice cooperativity, and inaccessibility at cryogenic temperatures. We overcome these limitations by extending the approach to spinning solids at cryogenic temperatures. Specifically, we report high-resolution ¹³C and ¹H magic-angle spinning (MAS) NMR spectra of a mononuclear spin-crossover (SCO) Mn(III)

SUBMITTER: Papawassiliou W 

PROVIDER: S-EPMC12811660 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature