TY  - JOUR
A1  - Emmerling, Franziska
A1  - Orgzall, Ingo
A1  - Dietzel, Birgit
A1  - Schulz, Burkhard
A1  - Larrucea, Julen
T1  - Ordering the amorphous - Structures in PBD LED materials
JF  - Journal of molecular structure
N2  - 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.
KW  - OLED
KW  - PBD
KW  - Diphenyl-1,3,4-oxadiazole
KW  - Crystallization
Y1  - 2012
U6  - https://doi.org/10.1016/j.molstruc.2012.04.040
SN  - 0022-2860
VL  - 1030
IS  - 23
SP  - 209
EP  - 215
PB  - Elsevier
CY  - Amsterdam
ER  -