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Ordering the amorphous - Structures in PBD LED materials
- The class of 2,5 disubstituted-1,3,4-oxadiazoles containing a biphenyl unit on one side is intensively used as electron transport materials to enhance the performance of organic light emitting diodes (OLEDs). In contrast to the ongoing research on these materials insights in their structure-property relationships are still incomplete. To overcome the structural tentativeness and ambiguities the crystal structures of 2-(4-biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole, that of the related compound 2-(4-biphenylyl)-5-phenyl-1,3,4-oxadiazole and of 2-(4-biphenylyl)-5-(2,6-dimethylphenyl)-1,3,4-oxadiazole are determined. A comparison with the results of GAUSSIAN03 calculations and similar compounds in the Cambridge Structural Database leads to a profound characterization.
| Author details: | Franziska EmmerlingORCiDGND, Ingo Orgzall, Birgit Dietzel, Burkhard SchulzORCiDGND, Julen Larrucea |
|---|---|
| DOI: | https://doi.org/10.1016/j.molstruc.2012.04.040 |
| ISSN: | 0022-2860 |
| Title of parent work (English): | Journal of molecular structure |
| Publisher: | Elsevier |
| Place of publishing: | Amsterdam |
| Publication type: | Article |
| Language: | English |
| Year of first publication: | 2012 |
| Publication year: | 2012 |
| Release date: | 2017/03/26 |
| Tag: | Crystallization; Diphenyl-1,3,4-oxadiazole; OLED; PBD |
| Volume: | 1030 |
| Issue: | 23 |
| Number of pages: | 7 |
| First page: | 209 |
| Last Page: | 215 |
| Funding institution: | Deutsche Forschungsgemeinschaft [SPP 1415, Em198/4-1] |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie |
| Peer review: | Referiert |
