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Structural and spectroscopical study of a 2,5-diphenyl-1,3,4-oxadiazole polymorph under compression

  • 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

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Author:Olga Franco, Ingo Orgzall, Wolfgang Regenstein, Burkhard SchulzORCiDGND
Document Type:Article
Year of first Publication:2006
Year of Completion:2006
Release Date:2017/03/24
Source:Journal of physics-condensed matter. - ISSN 0953-8984. - 18 (2006), 4, S. 1459 - 1472
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie
Peer Review:Referiert
Institution name at the time of publication:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik