89 research outputs found
Phonons and structures of tetracene polymorphs at low temperature and high pressure
Crystals of tetracene have been studied by means of lattice phonon Raman
spectroscopy as a function of temperature and pressure. Two different phases
(polymorphs I and II) have been obtained, depending on sample preparation and
history. Polymorph I is the most frequently grown phase, stable at ambient
conditions. A pressure induced phase transition, observed above 1 GPa, leads to
polymorph II, which is also obtained at temperatures below 140 K. Polymorph II
can also be maintained at ambient conditions.
We have calculated the crystallographic structures and phonon frequencies as
a function of temperature, starting from the configurations of the energy
minima found by exploring the potential energy surface of crystalline
tetracene. The spectra calculated for the first and second deepest minima match
satisfactorily those measured for polymorphs I and II, respectively. All
published x-ray structures, once assigned to the appropriate polymorph, are
also reproduced.Comment: 8 pages, 5 figures, RevTeX4, update after referees report
POLARITON AND SURFACE EXCITON-STATE EFFECTS IN THE PHOTODYNAMICS OF ORGANIC MOLECULAR-CRYSTALS
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Influence of crystal fields on the quasimetallic reflection spectra of crystals: Optical spectra of polymorphs of a squarylium dye
The reflection and Kramers–Kronig absorption spectra have been obtained from the monoclinic and triclinic polymorphs of a squarylium dye, 2,4-bis(4-diethylamino-2-hydroxy phenyl) cyclobutadienediylium-1,3-diolate. The extremely different optical responses were found to arise from two molecular singlet transitions of essentially long axis polarization. Successful application of a four oscillator molecular exciton–polariton theory required the use of point charge densities rather than point dipoles in an extension of the theory which employed both interactions between the two singlets as well as a frequency dependent lattice damping. An intermolecular charge transfer transition is also assigned. The Journal of Chemical Physics is copyrighted by The American Institute of Physics
Behavior of GM(3) ganglioside in lipid monolayers mimicking rafts or fluid phase in membranes
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