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Molecular motions in amorphous Ibuprofen as studied by broadband dielectric spectroscopy

  • The molecular mobility of amorphous ibuprofen has been investigated by broadband dielectric relaxation spectroscopy (DRS) covering a temperature range of more than 200 K. Four different relaxation processes, labeled as α, β, γ, and D, were detected and characterized, and a complete relaxation map was given for the first time. The γ-process has activation energy Ea = 31 kJ·mol-1, typical for local mobility. The weak β-relaxation, observed in the glassy state as well as in the supercooled state was identified as the genuine Johari-Goldstein process. The temperature dependence of the relaxation time of the α-process (dynamic glass transition) does not obey a single VFTH law. Instead two VFTH regimes are observed separated by a crossover temperature, TB = 265 K. From the low temperature VFTH regime, a Tgdiel(t =100 s) = 226 K was estimated, and a fragility or steepness index m = 93, was calculated showing that ibuprofen is a fragile glass former. The D-process has a Debye-like relaxationThe molecular mobility of amorphous ibuprofen has been investigated by broadband dielectric relaxation spectroscopy (DRS) covering a temperature range of more than 200 K. Four different relaxation processes, labeled as α, β, γ, and D, were detected and characterized, and a complete relaxation map was given for the first time. The γ-process has activation energy Ea = 31 kJ·mol-1, typical for local mobility. The weak β-relaxation, observed in the glassy state as well as in the supercooled state was identified as the genuine Johari-Goldstein process. The temperature dependence of the relaxation time of the α-process (dynamic glass transition) does not obey a single VFTH law. Instead two VFTH regimes are observed separated by a crossover temperature, TB = 265 K. From the low temperature VFTH regime, a Tgdiel(t =100 s) = 226 K was estimated, and a fragility or steepness index m = 93, was calculated showing that ibuprofen is a fragile glass former. The D-process has a Debye-like relaxation function but the temperature dependence of relaxation time also follows the VFTH behavior, with a Vogel temperature and a pre-exponential factor which seem to indicate that its dynamics is governed by the α-process. It has similar features as the Debye-type process observed in a variety of associating liquids, related to hydrogen bonding dynamics. The strong tendency of ibuprofen to form hydrogen bonded aggregates such as dimers and trimers either cyclic or linear which seems to control in particular the molecular mobility of ibuprofen was confirmed by IR spectroscopy, electrospray ionization mass spectrometry, and MD simulations.zeige mehrzeige weniger

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Metadaten
Autor*innen:A. R. Brás, J. P. Noronha, A. M. M. Antunes, M. M. Cardoso, Andreas SchönhalsORCiD, F. Affouard, M. Dionísio, N.T. Correia
Dokumenttyp:Zeitschriftenartikel
Veröffentlichungsform:Verlagsliteratur
Sprache:Englisch
Titel des übergeordneten Werkes (Englisch):The journal of physical chemistry / B
Jahr der Erstveröffentlichung:2008
Herausgeber (Institution):American Chemical Society
Verlag:Soc.
Verlagsort:Washington, DC
Jahrgang/Band:112
Ausgabe/Heft:35
Erste Seite:11087
Letzte Seite:11099
DOI:10.1021/jp8040428
ISSN:1520-6106
ISSN:1520-5207
ISSN:1089-5647
Verfügbarkeit des Dokuments:Physisches Exemplar in der Bibliothek der BAM vorhanden ("Hardcopy Access")
Bibliotheksstandort:Sonderstandort: Publica-Schrank
Datum der Freischaltung:19.02.2016
Referierte Publikation:Ja
Datum der Eintragung als referierte Publikation:15.09.2008
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