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5223164 
Journal Article 
Three-dimensional molecular packing of thin organic films of PTCDI-C8 determined by surface X-ray diffraction 
Krauss, TN; Barrena, E; Zhang, XN; de Oteyza, DG; Major, J; Dehm, V; Würthner, F; Cavalcanti, LP; Dosch, H 
2008 
1 
Langmuir
ISSN: 0743-7463
EISSN: 1520-5827 
24 
22 
12742-12744 
English 
18925759 
WOS:000260874800006 
We have determined the full molecular 3D packing of thin organic films of the archetypical organic n-type semiconductor N, N'-dioctyl-3,4:9,10-perylene tetracarboxylic diimide (PTCDI-C 8) by surface X-ray crystallography. We show that PTCDI-C 8 forms smooth layered films on Al 2O 3 (11-20) with an outstanding degree of molecular order. The thin-film structure is found to consist of a triclinic unit cell with the plane of the aromatic core tilted by 67 +/- 2 degrees with respect to the surface plane, which differs significantly from the bulk structure. The 3D crystallites extend with vertical coherent order across the entire film thickness.