Evidence for the chemical nature and ordering of cobaltocene intercalated in CdPS3 using single crystal solid state 2H NMR spectroscopy

Abstract

Solid state ²H NMR spectra of single crystal samples of CdPS₃{Co(η-C₅D₅)₂}_0.4 indicate the co-existence of both Co(η-C₅D₅)₂ and [Co(η-C₅D₅)₂]⁺between the CdPS₃layers; all the metallocene guest molecules reside in ordered domains within the ab-plane of the host lattice at a 90° angle to each other, and with their principal C₅-symmetry axes parallel to the layers of the host lattice.