Orientational correlations in molecular liquids containing tetrahedral molecules

Rövid cím: 
Orientational correlations in tetrahedral liquids
2016. 12. 09. 10:15
BME Fizikai Intézet, Elméleti Fizika Tanszék, Budafoki út 8. F-épület, III lépcsőház, szemináriumi szoba
Szilvia Pothoczki (Wigner Res. Inst.)

Liquids, mostly in the form of solvents and solutions, are an integral part of our life. Understanding the structure of these systems is an important challenge of our times. The physical and chemical behaviour of these materials is determined by the arrangement of particles, namely, by the atomic/molecular structure. This talk reviews [1] results of our recent studies on the XY4 liquid family, whose liquids consist of perfect tetrahedral molecules [2] and liquids whose molecules resulted from the gradual distortion of perfect tetrahedral molecular symmetry [3]. The structure is revealed by neutron-and X-ray diffraction experiments whose outcome is interpreted by means of Reverse Monte Carlo [4] modeling. This complex approach makes detailed structural analyses possible for these systems at an unprecedented level and quality. The primary aim was to describe the orientational correlations, since this piece of information denotes the most complete understanding of the structure. [5] Additional fundamental questions concerning these liquids are the effects of size and symmetry differences between their molecules on the intra- and intermolecular behaviour. Short range ordering was followed with an accentuated attention.
[1] Sz. Pothoczki, L. Temleitner and L. Pusztai, Chem. Rev. 115(24), (2015) 13308
[2] Sz. Pothoczki, L. Temleitner, P. Jóvári, S. Kohara and L. Pusztai, J. Chem. Phys. 130 (2009) 064503
[3] Sz. Pothoczki, L. Temleitner, and L. Pusztai, J. Chem. Phys. 134 (2011) 044521
[4] O. Gereben, P. Jóvári, L. Temleitner and L. Pusztai, J. Optoel. Adv. Mater. (2007) 9 3021
[5] Sz. Pothoczki, L. Temleitner and L. Pusztai, Advances in Chemical Physics, 150, (2012) 143