We report neutron diffraction measurements of liquid chlorine at 200 K and 290 K and orthobaric densities. The scattering functions, S(K), and the radial distribution functions, g(r), are discussed by comparison with those of other homonuclear diatomic liquids like N2, O2, Br2 and I2. Strong orientational correlations, found in both thermodynamic states, are suggested to be related mainly to the quadrupolar interaction. The shapes of the g(r) functions and the number of first neighbours strongly indicate that, at short distance in the liquid, we have correlations among first neighbouring molecules very similar to that we find in solid chlorine. Some implications for the σ value used in the 2LJC intermolecular potential are discussed, and consequences are also indicated for the MD experiments already done to simulate the liquid halogens.
The structure of liquid chlorine
SACCHETTI, Francesco
1983
Abstract
We report neutron diffraction measurements of liquid chlorine at 200 K and 290 K and orthobaric densities. The scattering functions, S(K), and the radial distribution functions, g(r), are discussed by comparison with those of other homonuclear diatomic liquids like N2, O2, Br2 and I2. Strong orientational correlations, found in both thermodynamic states, are suggested to be related mainly to the quadrupolar interaction. The shapes of the g(r) functions and the number of first neighbours strongly indicate that, at short distance in the liquid, we have correlations among first neighbouring molecules very similar to that we find in solid chlorine. Some implications for the σ value used in the 2LJC intermolecular potential are discussed, and consequences are also indicated for the MD experiments already done to simulate the liquid halogens.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
