@article{EmmerlingOrgzallRecketal.2006,
  author    = {Emmerling, Franziska and Orgzall, Ingo and Reck, G{\"u}nter and Schulz, Burkhard W. and Stockhause, Sabine and Schulz, Burkhard},
  title     = {Structures of substituted di-aryl-1, 3,4-oxadiazole derivatives: 2,5-bis(pyridyl)- and 2,5-bis(aminophenyl)-substitution},
  series = {Journal of molecular structure},
  volume    = {800},
  journal   = {Journal of molecular structure},
  number    = {1-3},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0022-2860},
  doi       = {10.1016/j.molstruc.2006.03.076},
  pages     = {74 -- 84},
  year      = {2006},
  abstract  = {Crystal structures of four different di-aryl-1,3,4-oxadiazole compounds (aryl = 2-pyridyl-, 3-pyridyl-, 2-aminophenyl-, 3-aminophenyl-) are determined. Crystallization of di(2-pyridyl)-1,3,4-oxadiazole yielded monoclinic and triclinic polymorphs. The structures are characterized by the occurrence of pi-pi interactions. Additionally, in case of the aminophenyl compounds intra- as well as intermolecular hydrogen bonds are found that influence the packing motif as well. Since these molecules are often used as ligands in metal-organic complexes similarities and differences of the molecular conformation between the molecules in the pure crystals and that of the ligands in the complexes are discussed. (c) 2006 Elsevier B.V. All rights reserved.},
  language  = {en}
}
@article{HoffmannDietzelSchulzetal.2011,
  author    = {Hoffmann, Katrin and Dietzel, Birgit and Schulz, Burkhard and Reck, Guenter and Hoffmann, Angelika and Orgzall, Ingo and Resch-Genger, Ute and Emmerling, Franziska},
  title     = {Combined structural and fluorescence studies of methyl-substituted 2,5-diphenyl-1,3,4-oxadiazoles - Relation between electronic properties and packing motifs},
  series = {Journal of molecular structure},
  volume    = {988},
  journal   = {Journal of molecular structure},
  number    = {1-3},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0022-2860},
  doi       = {10.1016/j.molstruc.2010.11.071},
  pages     = {35 -- 46},
  year      = {2011},
  abstract  = {Prerequisite for the rational design of functional organic materials with tailor-made electronic properties is the knowledge of the structure-property relationship for the specific class of molecules under consideration. This encouraged us to systematically study the influence of the molecular structure and substitution pattern of aromatically substituted 1,3,4-oxadiazoles on the electronic properties and packing motifs of these molecules and on the interplay of these factors. For this purpose, seven diphenyl-oxadiazoles equipped with methyl substituents in the ortho- and meta-position(s) were synthesized and characterized. Absorption and fluorescence spectra in solution served here as tools to monitor substitution-induced changes in the electronic properties of the individual molecules whereas X-ray and optical measurements in the solid state provided information on the interplay of electronic and packing effects. In solution, the spectral position of the absorption maximum, the size of Stokes shift, and the fluorescence quantum yield are considerably affected by ortho-substitution in three or four ortho-positions. This results in blue shifted absorption bands, increased Stokes shifts, and reduced fluorescence quantum yields whereas the spectral position and vibrational structure of the emission bands remain more or less unaffected. In the crystalline state, however, the spectral position and shape of the emission bands display a strong dependence on the molecular structure and/or packing motifs that seem to control the amount of dye-dye-interactions. These observations reveal the limited value of commonly reported absorption and fluorescence measurements in solution for a straightforward comparison of spectroscopic results with single X-ray crystallography. This underlines the importance of solid state spectroscopic studies for a better understanding of the interplay of electronic effects and molecular order.},
  language  = {en}
}
@article{EmmerlingOrgzallDietzeletal.2012,
  author    = {Emmerling, Franziska and Orgzall, Ingo and Dietzel, Birgit and Schulz, Burkhard and Larrucea, Julen},
  title     = {Ordering the amorphous - Structures in PBD LED materials},
  series = {Journal of molecular structure},
  volume    = {1030},
  journal   = {Journal of molecular structure},
  number    = {23},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0022-2860},
  doi       = {10.1016/j.molstruc.2012.04.040},
  pages     = {209 -- 215},
  year      = {2012},
  abstract  = {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.},
  language  = {en}
}
@article{SchulzDietzelOrgzalletal.2009,
  author    = {Schulz, Burkhard and Dietzel, Birgit and Orgzall, Ingo and Diez, Isabel and Xu, Chenggang},
  title     = {Aspects of morphology control during the oxidative synthesis of electrically conducting polymers},
  issn      = {0954-0083},
  doi       = {10.1177/0954008309339933},
  year      = {2009},
  abstract  = {The formation of micro- and nanostructures during the oxidative polymerization of polypyrrole and polyaniline is investigated using different sulfonic acid dopants. Rod- or tube-like structures are found in polypyrrole as well as in polyaniline without addition of further compounds to the initial reaction mixture of monomer, dopant and oxidant. In these cases, always a crystalline precursor complex composed of a dopand molecule and the pure monomer (aniline) or a trimeric moiety (pyrrole) serves as in-situ template. In most cases the surface of the growing polymer is covered by secondary structures with much smaller sizes so that a hierarchical order of structures at different length scales results. Corresponding model considerations for the polymerization process are outlined. Additionally, unusual structures like platelets, frames, rings, or ribbons are observed in the polypyrrole synthesis in the presence of fluorosurfactants.},
  language  = {en}
}
@article{OrgzallFrancoSchulz2006,
  author    = {Orgzall, Ingo and Franco, Olga and Schulz, Burkhard},
  title     = {High pressure structural investigations of 2,5-di(4-pyridyl)-1,3,4-oxadiazole - importance of strain studies for the description of intermolecular interactions},
  doi       = {10.1088/0953-8984/18/23/001},
  year      = {2006},
  abstract  = {Results of a high pressure x-ray study of 2,5-di(4-pyridyl)-1,3,4-oxadiazole up to 2.5 GPa are presented and discussed. Parameters for the Murnaghan equation of state are derived. The bulk modulus amounts to K-0 = 4.6 +/- 0.3 GPa and its pressure derivative to K-0' = 7.4 +/- 0.6. These values are comparable to values of other diphenyl-1,3,4- oxadiazoles. The anisotropy of the compression is analysed using the strain tensor and discussed based on the anisotropy of the intermolecular interactions},
  language  = {en}
}
@article{OrgzallLorenz1994,
  author    = {Orgzall, Ingo and Lorenz, Bernd},
  title     = {Structure and fractal properties in geological crystallization processes due to nucleation and growth},
  year      = {1994},
  language  = {en}
}
@article{OrgzallLorenzHinze1994,
  author    = {Orgzall, Ingo and Lorenz, H. and Hinze, E.},
  title     = {Observation of cBN formation in the system Mg3N2-BN},
  year      = {1994},
  language  = {en}
}
@article{OrgzallLorenz1994,
  author    = {Orgzall, Ingo and Lorenz, Bernd},
  title     = {Kinetics of photoinduced phase transitions in sulfur below 10 Gpa},
  year      = {1994},
  language  = {en}
}
@article{OrgzallLorenzHinze1994,
  author    = {Orgzall, Ingo and Lorenz, H. and Hinze, E.},
  title     = {Formation of the intermediate compound Mg3BN3 in the system Mg3N2-BN},
  year      = {1994},
  language  = {en}
}
@article{OrgzallLorenzHinze1994,
  author    = {Orgzall, Ingo and Lorenz, H. and Hinze, E.},
  title     = {Formation of cubic BN in the system Mg3N2-BN : some pecularities},
  year      = {1994},
  language  = {en}
}