Structure and dynamics of guest molecules confined in a mesoporous silica matrix: Complementary NMR and PDF characterisation

Abstract

We present an experimental approach to study the structure and dynamics of molecular functional complexes in porous host matrices. Combining the results of Solid-State NMR and pair distribution function analysis based on total X-ray scattering data the structural arrangement and dynamical behaviour of Na₂[Fe(CN)₅NO]·2H₂O (SNP) embedded in amorphous SiO₂ matrix is investigated. We show that the SNP complexes are embedded as isolated complexes within the SiO₂ pores and propose a structural model for the cation and anion arrangement. Additionally the NMR results demonstrate the rotational dynamics of the SNP complexes.