The structure of liquid chlorine

The structure of liquid bromine

“…The most noticeable characteristic of the high temperature S(Q) is that it is very similar to the low temperature case. Consequently, the only temperature variations in the atom-atom g(r) are some broadening and damping of its structures, as it was already observed in liquid CI 2 [13]. These results indicate that the orientational structure of liquid Br 2 does not undergo any drastic changing with density and suggest that orientational correlations are set up not only by steric hindrance, but also by the quadrupolar coupling.…”

“…These differences in the S(Q) have been attributed [2,5] to the presence of strong orientational correlations in halogens. Observations (a) and (b) on the temperature dependence of the S(Q) of Br 2 suggest that these orientational correlations, although they become less important on decreasing density and increasing temperature, are still present at 473 K. An analogous behaviour was observed in the case of liquid C12 [13] at about the same thermodynamic states; from this result it was deduced that the steric hindrance induced by the hard core part of the intermolecular potential is not sufficient to determine the structure of the liquid. A similar indication can be extracted from our Br 2 measurements.…”

“…The presence of two peaks of about the same height in the S(Q) as well as the asymmetry in the shape of the first peak has already been observed in halogens (C12 [13,14], Br 2 [19,21], 12 [7]) at temperatures near the triple point. On the other hand, the S(Q) of less anisotropic diatomic molecules, like N2 [22] and 0 2 [22], shows a single peak, after which the scattering intensity is almost flat.…”

“…Recently the structure of liquid CI 2 has been studied at two thermodynamic states along the coexistence curve at T = 200 K and T = 290 K [13]. Only small differences have been found in the shape of the scattering functions at the two temperatures.…”

A Monte Carlo simulation study of liquid chlorine

“…The structure factor S(k) is reported in figures 9 and 10 for the two thermodynamic states. The comparison with the experimental data [12,13] leads almost to the same conclusions discussed in previous investigations [1,2], namely that the model gives the correct ratio between the heights of the first and second peak and shows the appearance of a 'bulge' on the right side of the first peak, which are common features of neutron diffraction of both Br 2 [3,5,14] and C12 [12,13]. However, taking into account the results about the orientational ordering, it seems unlikely that the appearance of the ' bulge' in S(k) can be ascribed to the higher occurrence of ' T' configurations, observed when a point quadrupole interaction is added to a 2LJC potential.…”