Synthesis and structural characterization of 2Dioxane.2H2O.CuCl2: metal-organic compound with Heisenberg antiferromagnetic S=1/2 chains

TL;DR

This paper reports the synthesis, structural analysis, and magnetic characterization of a new 2Dioxane.CuCl2.2H2O compound, revealing it as a weakly coupled 1D S=1/2 Heisenberg antiferromagnetic chain with specific exchange constants.

Contribution

It introduces a novel organometallic compound and provides detailed magnetic properties, including exchange constants and excitation spectrum, supported by experimental and numerical analysis.

Findings

Identified the compound as a weakly coupled 1D Heisenberg antiferromagnetic chain.

Measured intra-chain exchange constant J=0.85 meV.

Observed magnetic excitation spectrum matches numerical calculations.

Abstract

A novel organometallic compound 2Dioxane.CuCl2.2H2O has been synthesized and structurally characterized by X-ray crystallography. Magnetic susceptibility and zero-field inelastic neutron scattering have also been used to study its magnetic properties. It turns out that this material is a weakly coupled one-dimensional S=1/2 Heisenberg antiferromagnetic chain system with chain direction along the crystallographic c axis and the nearest-neighbor intra-chain exchange constant J=0.85(4) meV. The next-nearest-neighbor inter-chain exchange constant J' is also estimated to be 0.05 meV. The observed magnetic excitation spectrum from inelastic neutron scattering is in excellent agreement with numerical calculations based on the Muller ansatz.