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1
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The Solid State Polymorphism and Dynamics of 2,3-Dimethylbutan-2-ol (2,3-DM-2-B)

100%
Juszyńska E., Massalska-Arodź M., Zieliński P., Krawczyk J.
Acta Physica Polonica A
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2012
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vol. 122
|
issue 4
693-697
EN
In the paper we present adiabatic calorimetry and dielectric spectroscopy results for 2,3-dimethylbutan-2-ol (2,3-DM-2-B), one of the isomers of neohexanol. For 2,3-DM-2-B we have detected the following phase transitions: C2 (249.8 K) → C1 (262 K) → Is. No glass phase was found. In both crystalline phases C2 and C1 three relaxation processes were detected. These processes are discussed in relation to the calorimetric studies.
2
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Molecular Dynamics of 4-Cyano-3-Fluorophenyl 4-Butylbenzoate as Studied by Dielectric Relaxation Spectroscopy

88%
Massalska-Arodź M., Krawczyk J., Juszyńska E., Kocot A., Inaba A.
Acta Physica Polonica A
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2010
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vol. 117
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issue 4
532-536
EN
Dielectric α-relaxation connected with reorientations of the 4-cyano-3-fluorophenyl-4-butylbenzoate molecules around short axes in the isotropic and nematic phases is presented. In the nematic phase the super-Arrhenius temperature dependence of the relaxation has been found. Vitrification of the supercooled nematic phase is shown. Below glass transition temperature the secondary β-relaxation has been identified and described well by the Arrhenius temperature dependence on cooling and on heating. After softening of glass to the metastable nematic phase a spontaneous crystallization occurs as for some other low-weight molecular glass formers.
3
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Formation of Hydrogen Bonds; Hydroxyl and Methyl Groups Dynamics in 2,2-dimethylbutan-1-ol and 2,3-dimethylbutan-2-ol: DFT, IINS and IR Investigations

76%
Juszyńska E., Hołderna-Natkaniec K., Massalska-Arodź M., Natkaniec I., Ściesińska E., Ściesiński J.
Acta Physica Polonica A
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2012
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vol. 122
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issue 4
765-775
EN
Dynamics of 2,2-dimethylbutan-1-ol and 2,3-dimethylbutan-2-ol have been studied by experimental spectroscopy methods, i.e., inelastic incoherent neutron scattering and infrared absorption. Experimental results were discussed and compared with the results of the quantum chemical calculations performed by semi-empirical PM3 and the density functional theory methods assuming the isolated molecule and dimer, trimer and tetramer clusters. The density functional theory modelling of vibrational spectra of monomers and OH bonded molecular clusters allows to assign the inter- and intermolecular vibrational modes observed in density of states and absorption spectra.
4
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Dielectric Spectroscopy Studies of 4-Cyano-3-fluorophenyl 4-Butylbenzoate Liquid Crystal at High Pressure

76%
Rozwadowski T., Massalska-Arodź M., Juszyńska E., Krawczyk J., Wojnarowska Ż., Paluch M.
Acta Physica Polonica A
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2012
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vol. 122
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issue 2
378-381
EN
For 4-cyano-3-fluorophenyl 4-butylbenzoate, nematic glassformer at ambient pressure, dielectric relaxation studies were performed under elevated pressure. In the isobaric experiment, on cooling the nematic phase two superarrhenius α-relaxations, ascribed to the reorientations of molecules around short axes and precession of long molecular axes were found and the Arrhenius β-relaxation related to intramolecular motions. Complexity of dynamics at elevated and ambient pressure is similar. Shift towards lower frequencies was found for both α-relaxations.
5
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Studies of New Antiferroelectric Liquid Crystal Based on Quantum-Chemical Model

76%
Tomczyk W., Marzec M., Juszyńska E., Dąbrowski R., Ziobro D., Wróbel S., Massalska-Arodź M.
Acta Physica Polonica A
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2013
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vol. 124
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issue 6
949-953
EN
Physical properties of new thermotropic antiferroelectric liquid crystal have been studied. Experiments were done by use of complementary methods such as differential scanning calorimetry, polarizing optical microscopy and X-ray powder diffractometry. Acquired data from X-ray powder diffractometry was examined under application of quantum chemical approach. It has been found that compound studied exhibits stable enantiotropic antiferroelectric SmC_{A}* phase in the wide temperature range while ferroelectric phase SmC* is very narrow.
6
Content available remote

IINS, MIR, and DFT Investigations of Vibrational Spectra of 3,3-Dimethyl-1-Butanol and 3,3-Dimethyl-2-Butanol

76%
Juszyńska E., Hołderna-Natkaniec K., Massalska-Arodź M., Natkaniec I., Ściesińska E., Ściesiński J.
Acta Physica Polonica A
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2008
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vol. 113
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issue 4
1131-1143
EN
Molecular vibrational spectra in 3, 3-dimethyl-1-butanol, (CH_3)_3 CCH_2CH_2OH, and 3, 3-dimethyl-2-butanol, (CH_3)_3CCHOHCH_3, were measured by the inelastic incoherent neutron scattering and mid infrared spectroscopy and for 3, 3-dimethyl-2-butanol additionally by the far infrared absorption method. Experimental results were discussed and compared with the results of the quantum chemical calculations performed by the density functional theory (DFT/B3LYP/6-311G**) and semi-empirical PM3 calculation methods assuming the isolated molecule approximation.
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