TY - JOUR A1 - Brehmer, Ludwig A1 - Dietzel, Birgit A1 - Freydank, Anke-Christine A1 - Katholy, Stefan A1 - Knochenhauer, Gerald A1 - Reiche, Jürgen A1 - Schulz, Burkhard A1 - Zetzsche, Thomas T1 - Langmuir- und Langmuir-Blodgett-Filme amphiphiler Oxadiazole Y1 - 1995 ER - TY - JOUR A1 - Dietzel, Birgit A1 - Freydank, A. A1 - Reiche, Jürgen A1 - Brehmer, Ludwig A1 - Knoblauch, H. A1 - Knochenhauer, Gerald A1 - Zetzsche, Thomas T1 - Mono- und Multischichten von neuen aromatischen 1,3,4-Oxadiazolen Y1 - 1995 ER - TY - JOUR A1 - Knochenhauer, Gerald T1 - Thin organic layers : Langmuir-Blodgett films low dimensional quantum mechanics Y1 - 1994 ER - TY - JOUR A1 - Knochenhauer, Gerald A1 - Penacorada, Florencio A1 - Reiche, Jürgen A1 - Brehmer, Ludwig A1 - Tredgold, Richard H. A1 - Barberka, Thomas Andreas T1 - Multilayers of perfluorinated fatty acids N2 - We have formed Y layers of perfluorododecanoic acid CF3(CF2)10COOH by thermal evaporation in vacuo and of perfluorotetradecanoic acid CF3(CF2)12COOH by thermal evaporation and by the Langmuir-Blodgett (LB) technique. We have obtained the bilayer spacing of both these materials by X-ray diffraction and have also studied the in-plane structure of these materials by means of grazing incidence diffraction (GID). Computer modelling was used to interpret the results obtained. For the perfluorododecanoic acid, we find two stable untwisted phases at 25°C and a combination of these two predicts both the Bragg peaks arising from the layer structure and the GID results. Our experimental results show that the perfluorotetradecanoic acid exists in the generally accepted helical structure. Computer modelling leads to the conclusion that closely packed perfluorinated chains with 12 or less carbon atoms should exist in an untwisted state while molecules having more than 12 carbon atoms show the onset of the helical conformation. Y1 - 1999 ER - TY - JOUR A1 - Knochenhauer, Gerald A1 - Reiche, Jürgen A1 - Barberka, Thomas Andreas A1 - Woolley, Martin A1 - Tredgold, Richard H. A1 - Hodge, P. A1 - Brehmer, Ludwig T1 - Do perfluorianted chains always have to be twisted? N2 - Short perfluorinated cabon chains do not take on helical structure when they are closely packed Y1 - 1995 ER - TY - JOUR A1 - Mikat, Jürgen E. R. A1 - Franco, Olga A1 - Regenstein, Wolfgang A1 - Reck, Günter A1 - Knochenhauer, Gerald A1 - Schulz, Burkhard A1 - Orgzall, Ingo T1 - 1,3,4-oxadiazole crystals under high pressure-phase transitions and properties Y1 - 2000 ER - TY - JOUR A1 - Orgzall, Ingo A1 - Lorenz, Bernd A1 - Mikat, Jürgen E. R. A1 - Dietel, Reinhard A1 - Knochenhauer, Gerald A1 - Schulz, Burkhard T1 - Raman and IR spectroscopic investigation of aromatic 1,3,4-oxadiazole polymers and oligomers N2 - The molecular structure of poly(p-phenylene-1,3,4-oxadiazole) (POD) is investigated using i.r. and Raman spectroscopy. Both methods reveal characteristic differences for the a- and b-POD forms that are most obvious in the spectral region between 1500 and 1650 cm-1. The spectra for dimer and tetramer compounds already show the same features as found for longer chains. Based on molecular modelling calculations these differences are assigned to cis and trans conformations of the main chain segments. High pressure measurements show a linear shift of the Raman lines and support the result of the thermodynamic stability of the trans conformation. Y1 - 1997 ER - TY - JOUR A1 - Orgzall, Ingo A1 - Lorenz, Bernd A1 - Mikat, Jürgen E. R. A1 - Reck, Günter A1 - Knochenhauer, Gerald A1 - Schulz, Burkhard T1 - Phase transition in 1,3,4-oxadiazole crystals under high pressure Y1 - 1998 ER - TY - JOUR A1 - Orgzall, Ingo A1 - Lorenz, Bernd A1 - Mikat, Jürgen E. R. A1 - Reck, Günter A1 - Knochenhauer, Gerald A1 - Schulz, Burkhard T1 - Phase transition in 1,3,4-oxadiazole crystals under high pressure N2 - Crystalline 2,5-di(4-nitrophenyl)-1,3,4-oxadiazole (DNO) has been investigated at pressures up to 5 GPa using Raman and optical spectroscopy as well as energy dispersive X-ray techniques. At ambient pressure DNO shows an orthorhombic unit cell (a = 0.5448 nm, b = 1.2758 nm, c = 1.9720 nm, density 1.513 g cm-3) with an appropriate space group Pbcn. From Raman spectroscopic investigations three phase transitions have been detected at 0.88, 1.28, and 2.2 GPa, respectively. These transitions have also been confirmed by absorption spectroscopy and X-ray measurements. Molecular modeling simulations have considerably contributed to the interpretation of the X-ray diffractograms. In general, the nearly flat structure of the oxadiazole molecule is preserved during the transitions. All subsequent structures are characterized by a stack-like arrangement of the DNO molecules. Only the mutual position of these molecular stacks changes due to the transformations so that this process may be described as a topotactical reaction. Phases II and III show a monoclinic symmetry with space group P21/c with cell parameters a = 1.990 nm, b = 0.500 nm, c = 1.240 nm, ß = 91.7°, density 1.681 g cm-3 (phase II, determined at 1. 1 GPa) and a = 1.890 nm, b = 0.510 nm, C = 1.242 nm, ß = 89.0°, density 1.733 g cm-3 (phase 111, determined at 2.0 GPa), respectively. The high-pressure phase IV stable at least up to 5 GPa shows again an orthorhombic structure with space group Pccn with corresponding cell parameters at 2.9 GPa: a = 0.465 nm, b = 1.920 nm, c = 1.230 nm and density 1.857 g cm-3 . For the first phase a blue pressure shift of the onset of absorption by about 0.032 eV GPa has been observed that may be explained by pressure influences on the electronic conjugation of the molecule. In the intermediate and high-pressure phases II-IV the onset of absorption shifts to increased wavelengths due to larger intermolecular interactions and enhanced excitation delocalization with decreasing intermolecular spacing. Y1 - 1999 ER - TY - JOUR A1 - Reiche, Jürgen A1 - Barberka, Thomas Andreas A1 - Knochenhauer, Gerald A1 - Woolley, Martin A1 - Pietsch, Ullrich T1 - Comprehensive structure investigation and computer modelling of perfluorododecanoic acid multilayers formed by in-vacuo thermal evaporation Y1 - 1994 ER -