Thermal and relaxational properties of glass-forming material, 3,3-dimethyl-1-butanol

Massalska-Arodź, Maria; Nakamoto, Taishi; Wasiutyński, T.; Mayer, J.; Krawczyk, J.; Sorai, Michio

doi:10.1016/j.jct.2004.06.007

Cited by 19 publications

(21 citation statements)

References 33 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Localization of OH group in 1-butanols (in terminal position) and in 2-butanols (in side position) is expected to influence the tendency to form hydrogen bonds between molecules. Investigations of thermal features have been performed for 2,2-DM-1-B (neohexanol) using DTA method [19,20] and for 3,3-DM-1-B using DSC and adiabatic calorimetry [21]. Both compounds have also been studied by dielectric relaxation method and the plastic phases have been found there [13,[19][20][21].…”

Section: Introductionmentioning

confidence: 99%

DSC studies of neohexanol and its isomers

Juszyńska¹,

Massalska-Arodź²,

Zieliński³

et al. 2006

Phase Transitions

View full text Add to dashboard Cite

DSC method has been used to establish a solid state polymorphism of four dimethyl butanols having CH 3 side groups:. Three isomers appear to be glass formers. Glass of liquid phase has been observed for 3,3-DM-1-B while glass of plastic phase for 2,2-DM-1-B and 3,3-DM-2-B. For 2,3-DM-2-B on cooling only crystallization has been found. Influence of location of the OH group in molecule on polymorphism is discussed. IR-spectra, measured in the liquid phase, have revealed hydrogen bonds in all isomers.

show abstract

Section: Introductionmentioning

confidence: 99%

DSC studies of neohexanol and its isomers

Juszyńska¹,

Massalska-Arodź²,

Zieliński³

et al. 2006

Phase Transitions

View full text Add to dashboard Cite

show abstract

“…It was not the case for 3,3-DM-1-B, ((CH 3 ) 3 CCH 2 CH 2 OH), of the strongest OH bonding between molecules, identied using infrared absorption spectroscopy [7], where isotropic liquid was easily supercooled and vitried. Those results were later conrmed in the adiabatic calorimetry experiment [8]. In DSC observations of the fourth isomer, the 2,3-DM--2-B compound, where hydrogen bonding seems to be the weakest, the monotropic system of thermodynamic phases has been identied with two crystalline phases.…”

Section: Introductionmentioning

confidence: 76%

“…Eect of supercooling of isotropic phase was found for both substances. Moreover, in liquid of 3,3-DM-1-B, with the strongest OH bonding between molecules, the ultra slow reptation process, typical for motions of polymer chain, was found [8], not observed for other isomers.…”

Section: Dynamicsmentioning

confidence: 83%

“…For process (3) the energy barrier was estimated roughly to 2.8 ± 0.2 kJ/(mol K). Figure 8 presents the temperature dependence of the reciprocal relaxation times lg(τ −1 /s −1 ) vs. T − T m for processes observed in 2,3-DM-2-B and other three isomers [8,19]. In liquid phase of 2,2-DM-1-B and 3,3-DM--1-B reorientations of whole molecules have the same rate (see squares and crosses, and dashed line, respectively).…”

Section: Dynamicsmentioning

confidence: 99%

See 1 more Smart Citation

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

et al. 2012

View full text Add to dashboard Cite

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.

show abstract

“…were detected: for 2,2-DM-1-B a single relaxation process while for 2,3-DM-2-B two processes associated with dierent conformers [26,8,10,11,15]. For interpretation of the bands observed in the density of states (at 20 K) and absorption spectra (at 290 K) frequencies and intensities of the normal modes were calculated for the isolated molecules and simple molecular clusters, using ab initio density functional theory (DFT) method.…”

Section: Introductionmentioning

confidence: 97%

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

et al. 2012

View full text Add to dashboard Cite

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.

show abstract

Thermal and relaxational properties of glass-forming material, 3,3-dimethyl-1-butanol

Cited by 19 publications

References 33 publications

DSC studies of neohexanol and its isomers

DSC studies of neohexanol and its isomers

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

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

Contact Info

Product

Resources

About