@article{BurekDenglerEmmerlingetal.2019,
  author    = {Burek, Katja and Dengler, Joachim and Emmerling, Franziska and Feldmann, Ines and Kumke, Michael Uwe and Stroh, Julia},
  title     = {Lanthanide Luminescence Revealing the Phase Composition in Hydrating Cementitious Systems},
  series = {ChemistryOpen},
  volume    = {8},
  journal   = {ChemistryOpen},
  number    = {12},
  publisher = {Wiley-VCH-Verl.},
  address   = {Weinheim},
  issn      = {2191-1363},
  doi       = {10.1002/open.201900249},
  pages     = {1441 -- 1452},
  year      = {2019},
  abstract  = {The hydration process of Portland cement in a cementitious system is crucial for development of the high-quality cement-based construction material. Complementary experiments of X-ray diffraction analysis (XRD), scanning electron microscopy (SEM) and time-resolved laser fluorescence spectroscopy (TRLFS) using europium (Eu(III)) as an optical probe are used to analyse the hydration process of two cement systems in the absence and presence of different organic admixtures. We show that different analysed admixtures and the used sulphate carriers in each cement system have a significant influence on the hydration process, namely on the time-dependence in the formation of different hydrate phases of cement. Moreover, the effect of a particular admixture is related to the type of sulphate carrier used. The quantitative information on the amounts of the crystalline cement paste components is accessible via XRD analysis. Distinctly different morphologies of ettringite and calcium-silicate-hydrates (C-S-H) determined by SEM allow visual conclusions about formation of these phases at particular ageing times. The TRLFS data provides information about the admixture influence on the course of the silicate reaction. The dip in the dependence of the luminescence decay times on the hydration time indicates the change in the structure of C-S-H in the early hydration period. Complementary information from XRD, SEM and TRLFS provides detailed information on distinct periods of the cement hydration process.},
  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{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{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{LeitererLeitenbergerEmmerlingetal.2006,
  author    = {Leiterer, York and Leitenberger, Wolfram and Emmerling, Franziska and Th{\"u}nemann, Andreas F. and Panne, Ulrich},
  title     = {The use of an acoustic levitator to follow crystallization in small droplets by energydispersive X-ray diffraction},
  issn      = {0021-8898},
  doi       = {10.1107/S0021889806024915},
  year      = {2006},
  language  = {en}
}