title: Origin of the liquid-liquid phase transition for trans-1,2-dichloroethylene observed by IR spectroscopy.
abstract: IR vibrational spectroscopy has been employed to study liquid-liquid phase transitions of trans-1,2-dichloroethylene (TDCE). The temperature dependence of the vibrational frequency, band absorbance, and band broadening has been analyzed in the temperature range of 293-237 K. All peaks show distinct increases in their absorbancies at the temperature of 246.7 K accompanied by a frequency shift and bandwidth changes. Weak H...Cl hydrogen bonding has been suggested as the explanation for the overall behavior in a wide temperature range, whereas the significant changes in the spectrum at 246.7 K are probably due to molecular ordering originating from electrostatic interactions. The transition is well described by the model of the cooperative formation of locally favored structures.
authors.affiliation: Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland.
authors.forename: Katarzyna
authors.initials: K
authors.lastname: Merkel
authors.forename: Antoni
authors.initials: A
authors.lastname: Kocot
authors.forename: Roman
authors.initials: R
authors.lastname: Wrzalik
authors.forename: Jerzy
authors.initials: J
authors.lastname: Ziolo
mesh_terms: D003198:Computer Simulation; D004000:Dichloroethylenes / Q000737:chemistry*; D008956:Models, Chemical; D044367:Phase Transition; D011789:Quantum Theory; D013055:Spectrophotometry, Infrared; D055672:Static Electricity; D013237:Stereoisomerism; D013696:Temperature; D014732:Vibration
chemical_list: D004000:Dichloroethylenes; C035384:1,2-dichloroethylene