Does a network structure exist in molecular liquid SnI₄and GeI₄?

Abstract

The existence of a network structure consisting of electrically neutral tetrahedral molecules in liquid SnI and GeI at ambient pressure was examined. The liquid structures employed for the examination were obtained from a reverse Monte Carlo analysis. The structures were physically interpreted by introducing an appropriate intermolecular interaction. A 'bond' was then defined as an intermolecular connection that minimizes the energy of intermolecular interaction. However, their 'bond' energy is too weak for the 'bond' and the resulting network structure to be defined statically. The vertex-to-edge orientation between the nearest molecules is so ubiquitous that almost all of the molecules in the system can take part in the network, which is reflected in the appearance of a prepeak in the structure factor.

Pressure-induced structural change in liquid GeI4

“…A probable path for structural change from Liq-II and Liq-I on compression was already discussed in [31]. The scenario is briefly summarized in the following way: the shortest intermolecular iodine-iodine distance was found to be realized when the nearest tetrahedral molecules are in the vertex-toface (VtoF) orientation [31].…”

“…A probable path for structural change from Liq-II and Liq-I on compression was already discussed in [31]. The scenario is briefly summarized in the following way: the shortest intermolecular iodine-iodine distance was found to be realized when the nearest tetrahedral molecules are in the vertex-toface (VtoF) orientation [31]. The distance can become shorter than the intramolecular iodine-iodine separation, and is close to 3.1 Å, the nearest neighbor iodine-iodine distance when a molecular crystal I 2 undergoes metallic transition [32].…”

“…The structural feature of the liquid at ambient pressure was closely analyzed using the reverse Monte Carlo technique [29,30]. The results of analysis were given in [27,31] and are not reiterated here.…”

Deconstructing the Local Intermolecular Ordering and Dynamics of Liquid Chloroform and Bromoform

“…Additionally, both the insights and analysis techniques validated by the investigation of neat liquids are readily extendable to the study of a molecular liquid’s organization around a solute and at interfaces between the molecular liquid and an adjacent, dissimilar phase. Diffraction experiments, computer simulations, and data analysis techniques applied to the study of neat molecular liquids continue to evolve and reveal new, increasingly detailed insights that both confirm and challenge earlier work. − …”

A polymerization scenario of the liquid–liquid transition of GeI4

“…A probable microscopic scenario for structural change from Liq-II and Liq-I on compression has been speculated in the following way [18]. Note first that the shortest intermolecular iodine-iodine distance realized when the nearest tetrahedral molecules are in the vertex-to-face (VtoF) orientation [18] is already close to 3.1 Å, which is the nearest neighbor iodine-iodine distance when a molecular crystal I 2 undergoes metallic transition [19].…”