The aim of the project – the X-ray analysis and result interpretation of the single crystals of perspective organic materials, that can be employed in organic light emitting diodes. For the experiment, compounds containing electron donating (2,7-dimethoxycarbazole, 3,6-dimethoxycarbazole, 9,10-dihydroacridine, phenothiazine, 3,6-ditretbutylcarbazole) and electron accepting (trifluoromethylbenzene, diphenylsulfon, 9,9-dimethylxanthene, 4- cyanobenzene, 2-cyanobenzene, 3-cyanobenzene) moieties will be selected. During the project it is planned to get acquainted with the basics of X-ray analysis. Using different crystal growing techniques and solvent systems, the single crystals of selected organic compounds will be obtained for the experiment. Firstly, the X-ray data will be used to identify the structures of the compounds. Additionally, the arrangement of the molecules in the crystalline lattice, the intermolecular interactions, angles and distances between the chromophores will be identified and compared.
Project funding:
Project is funded by EU Structural Funds according to the 2014–2020 Operational Programme for the European Union Funds’ Investments priority “Development of scientific competence of researchers, other researchers, students through practical scientific activities” under Measure No. 09.3.3-LMT-K-712.
Project results:
During the project student got acquainted with the basics of X-ray crystallographic analysis. Furthermore, different techniques and solvent systems, which were used for single crystal growth of selected materials, were mastered. To perform the experimental part – crystal analysis, structure solving, interpretation of the results – the knowledge of CrysAlisPro and OLEX2 software packages was acquired. For the experiment, single crystals of the compounds containing electron donating (2,7-dimethoxycarbazole, 3,6-dimethoxycarbazole, 9,10-dihydroacridine, phenothiazine, 3,6-ditretbutylcarbazole, phenantroimidazole) and electron accepting (trifluoromethylbenzene, diphenylsulfon, 9,9-dimethylxanthene, 3-cyanobenzene) moieties were grown. During the practice the structures of the selected compounds were identified and the following parameters were compared:
– orientation of the molecules in the crystal lattice;
– intermolecular interactions;
– dihedral angles.
All results were summarized and presented in the report.
Period of project implementation: 2019-07-01 - 2019-08-30
Project coordinator: Kaunas University of Technology
