Crystal engineering of new functional supramolecular assemblies with emphasis on porous materials.

In the past, X-ray diffraction was mostly used as a technique to support spectroscopic characterisation and/or as an eye-catching visualisation method of compounds. Along with the development of computers, software and X-ray instruments, researchers (not only crystallographers) found diffractometers to be useful tools to gain deeper insight in the arrangements of molecules in the solid state. The detailed studies of intermolecular interactions initiated the new and exciting research area of "crystal engineering". The ultimate goal of rational design of new 'tailored' materials with specific properties has been the driving force behind experiments aimed at understanding the fundamental principles governing the self-assembly of molecules. In this project, we focus on the design and assembly of new functional materials based on classical coordination chemistry. In particular, we wish to obtain and study porous crystalline solids formed through supramolecular interactions, as well as get grasp of phenomena connected with molecular dynamics in the solid state. The work will involve several aspects of modern research including the synthesis of new multipodal ligands and their metal complexes, a detailed study of the influence of different factors (e.g. temperature, solvent, counterion, etc.) on the final crystalline product, a thorough spectroscopic characterisation of the compounds (e.g.NMR, FT-IR, ESI-MS, UV-Vis), thermal analysis, single crystal-/powder diffraction, and porosity studies.

Keywords:Topology of polymeric networks, Metal complexes, Porosity, Gas sorption, Crystal engineering, X-ray, Single-crystal-to-single-crystal transfo

Disciplines:Inorganic chemistry, Analytical chemistry, Organic chemistry