TY  - JOUR
A1  - Franco, Olga
A1  - Orgzall, Ingo
A1  - Regenstein, Wolfgang
A1  - Schulz, Burkhard
T1  - Structural and spectroscopical study of a 2,5-diphenyl-1,3,4-oxadiazole polymorph under compression
N2  - The x-ray pattern and the Raman and luminescence spectra of crystalline 2,5-diphenyl-1,3,4-oxadiazole in one of its polymorphic forms (DPO II) have been investigated under pressure up to 5 GPa. The behaviour of the lattice parameters under compression was determined and it was found that the Murnaghan equation of state provides a good description of the volume-pressure relationship of DPO II. The values for the bulk modulus and its pressure derivative are K-0 = 8.6 GPa and K-0' = 7.2. The analysis of the Raman spectrum under compression clearly shows the pressure- induced shift of the Raman modes to higher frequencies. The mode Gruneisen parameters for the lattice modes were determined. Additionally, it was found that the emission spectrum of DPO II moves to lower energies and that the luminescence intensity decreases when pressure is applied
Y1  - 2006
UR  - http://iopscience.iop.org/0953-8984
U6  - https://doi.org/10.1088/0953-8984/18/4/029
SN  - 0953-8984
ER  - 
TY  - JOUR
A1  - Orgzall, Ingo
A1  - Franco, Olga
A1  - Schulz, Burkhard
T1  - High pressure structural investigations of 2,5-di(4-pyridyl)-1,3,4-oxadiazole - importance of strain studies for the description of intermolecular interactions
N2  - 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
Y1  - 2006
UR  - http://iopscience.iop.org/0953-8984
U6  - https://doi.org/10.1088/0953-8984/18/23/001
ER  -