CuCl Complexation in the Vapor Phase: Insights from Ab Initio Molecular Dynamics Simulations

Figure 6

Radial distribution function (RDF, solid lines, left axes) and the coordination number (CN, dash lines, right axes) as a function of the Cl-O distance of Cl versus O in solvent water (excluded water molecule in [CuCl(H₂O)]⁰ cluster).