Solvato Modulation of the Magnetic Memory in Isotopically Enriched Erbium Polyoxometalate.
Jessica Flores GonzalezVincent MontigaudVincent DorcetKevin BernotBoris Le GuennicFabrice PointillartOlivier CadorPublished in: Chemistry (Weinheim an der Bergstrasse, Germany) (2021)
Single-Molecule Magnet (SMM) property is by essence molecular, while commonly measured in solid crystalline state. Solvent crystallization molecules are usually neglected in the analysis and interpretation of solid-state properties. The solvation/desolvation process in the polyoxometalate(POM)-based Na9 [Er(W5 O18 )2 ] ⋅ 35 H2 O SMM demonstrates that the dehydrated form relaxes more than 1000 times faster than the initial state, while the rehydration process allows the quasi complete recovering of the initial magnetic behaviour. This dehydration process is monitored by thermogravimetric analysis (TGA) and temperature-dependent X-ray powder diffraction, and rationalized by periodic quantum chemical calculations evidencing the tremendous role of the labile water molecules in the stability of the edifice. Ab-initio calculations highlight that sodium ions localization in the structure drive the magnetic responses. Isotopic enrichment with nuclear spin free (166 Er, I=0) ErIII ions shows that the relaxation dynamics in the quantum regime depends on the nuclear spin.
Keyphrases
- single molecule
- molecular dynamics
- density functional theory
- solid state
- molecular dynamics simulations
- molecularly imprinted
- room temperature
- living cells
- atomic force microscopy
- monte carlo
- high resolution
- magnetic resonance imaging
- endoplasmic reticulum
- crystal structure
- high speed
- metal organic framework
- data analysis
- liquid chromatography