ELFT HÍRADÓ

[tcsaba <tcsaba AT eik.bme.hu>]

                   M E G H Í V Ó - I N V I T A T I O N

    Seminar Series of the Department of Theoretical Physics at the
           Budapest University of Technology and Economics


                           Szilvia Pothoczki
                 (Wigner Research Institute of Physics)

            Orientational correlations in molecular liquids
                   containing tetrahedral molecules


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) 143https://arxiv.org/abs/1603.06611


Időpont: 2016. december 9. péntek, 10:15
Helyszín: BME Fizikai Intézet, Elméleti Fizika Tanszék,
Budafoki út 8. F-épület, III lépcsőház, szemináriumi szoba