Origin of the liquid-liquid phase transition for trans-1,2-dichloroethylene observed by IR spectroscopy

Journal of Chemical Physics

Volumn 129, Issue 7, 2008, Pages

  Merkel, Katarzyna ^a   Kocot, Antoni ^a   Wrzalik, Roman ^a   Ziolo, Jerzy ^a  

^a UNIVERSITY OF SILESIA   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; HYDROGEN; HYDROGEN BONDS; LIQUID PHASE EPITAXY; MODEL STRUCTURES; NONMETALS; PIPE FLOW;

ABSORBANCE; BAND BROADENING; ELECTROSTATIC INTERACTIONS; FREQUENCY SHIFTING; HYDROGEN BONDINGS; IR-SPECTROSCOPY; LIQUID-LIQUID PHASE TRANSITIONS; MOLECULAR ORDERING; TEMPERATURE DEPENDENCES; TEMPERATURE RANGES; VIBRATIONAL FREQUENCIES; WIDE TEMPERATURE RANGE;

PHASE TRANSITIONS;

1,2 DICHLOROETHYLENE; 1,2-DICHLOROETHYLENE; UNCLASSIFIED DRUG; VINYLIDENE CHLORIDE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; INFRARED SPECTROPHOTOMETRY; PHASE TRANSITION; QUANTUM THEORY; STATIC ELECTRICITY; STEREOISOMERISM; TEMPERATURE; VIBRATION;

COMPUTER SIMULATION; DICHLOROETHYLENES; MODELS, CHEMICAL; PHASE TRANSITION; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; STATIC ELECTRICITY; STEREOISOMERISM; TEMPERATURE; VIBRATION;

EID: 50249147822     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2968135     Document Type: Article

References (41)

1. H. Tanaka, Phys. Rev. E 62, 6968 (2000).
2. S. Kawanishi, T. Sasuga, and M. Takehisa, J. Phys. Soc. Jpn. 0031-9015 10.1143/JPSJ.48.1307 48, 1307 (1980); S. Kawanishi, T. Sasuga, and M. Takehisa, J. Phys. Soc. Jpn. 48, 1311 (1980).
3. S. Kawanishi, J. Phys. Soc. Jpn. 0031-9015 10.1143/JPSJ.52.3093 52, 3093 (1983); S. Kawanishi, T. Sasuga, and M. Takehisa, J. Phys. Soc. Jpn. 0031-9015 10.1143/JPSJ.51.1579 51, 1579 (1982); S. Kawanishi, T. Sasuga, and M. Takehisa, J. Phys. Soc. Jpn. 50, 3080 (1981).
4. B. Zegrodnik, A. Hacura, W. Carius, and O. Schröter, Acta Math. 75, 469 (1989).
5. Y. Katayama, T. Mizutani, W. Utsumi, O. Shimomura, M. Yamakata, and K. Funakoshi, Nature (London) 403, 170 (2000).
6. S. Strässler and C. Kittel, Phys. Rev. 139, A758 (1965).
7. E. Rappoport, J. Chem. Phys. 46, 2891 (1967).
8. R. Kurita and H. Tanaka, J. Chem. Phys. 126, 204505 (2007).
9. L. A. Nafie and W. L. Peticolas, J. Chem. Phys. 57, 3145 (1972).
10. A. Kocot, J. K. Vij, and T. S. Perova, in Advances in Liquid Crystals, Advances in Chemical Physics Vol. 113, edited by, J. K. Vij, (Wiley, New York, 2000), p. 203.
11. G. Turrell, Infrared and Raman Spectra of Crystals (Academic, New York, 1972), pp. 153-158.
12. J. P. Hummel and P. J. Flory, Macromolecules 13, 479 (1980).
13. A. Kocot, G. Kruk, R. Wrzalik, and J. K. Vij, Liq. Cryst. 0267-8292 10.1080/02678299208032815 12, 1005 (1992); A. Kocot, R. Wrzalik, and J. K. Vij, Liq. Cryst. 21, 147 (1996).
14. W. G. Jang, C. S. Park, J. E. Maclennan, K. H. Kim, and N. A. Clark, Ferroelectrics 180, 213 (1996).
15. S. V. Shilov, H. Skupin, F. Kremer, T. Wittig, and R. Zentel, Phys. Rev. Lett. 79, 1686 (1997).
16. A. L. Verma, B. Zhao, S. M. Jiang, J. C. Sheng, and Y. Ozaki, Phys. Rev. E 56, 3053 (1997).
17. A. Kocot, R. Wrzalik, B. Orgasinska, T. Perova, J. K. Vij, and H. T. Nguyen, Phys. Rev. E 59, 551 (1999).
18. R. Wrzalik, K. Merkel, A. Kocot, and B. Cieplak, J. Chem. Phys. 117, 4889 (2002).
19. E. Kluk and A. Kocot, J. Mol. Struct. 0022-2860 10.1016/0022-2860(80) 85092-7 61, 23 (1980); R. E. D. Mc Clung, J. Chem. Phys. 57, 5478 (1972).
20. N. C. Craig, R. A. Appleman, H. E. Barnes, E. Morales, J. A. Smith, S. Klee, M. Lock, and G. C. Mellau, J. Phys. Chem. A 102, 6745 (1996).
21. J. L. Page and F. A. Rushworth, J. Phys. C 2, 415 (1969).
22. M. C. Daza, J. A. Dobado, J. Molina, P. Salvador, M. Duran, and J. L. Villaveces, J. Chem. Phys. 110, 11806 (1999).
23. S. L. Price, A. J. Stone, J. Lucas, R. S. Rowland, and A. E. Thornley, J. Am. Chem. Soc. 116, 4910 (1994).
24. M. Abel, V. Oison, M. Koudia, C. Maurel, C. Katan, and L. Porte, ChemPhysChem 7, 82 (2006).
25. Parallel Quantum Solutions (http://www.pqs-chem.com).
26. A. D. Becke, J. Chem. Phys. 98, 1372 (1993).
27. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 41, 785 (1988).
28. J. B. Foresman and A. Frisch, Exploring Chemistry with Electronic Structure Methods (Gaussian, Pittsburgh, 1996), and references therein.
29. P. Pulay, G. Fogarasi, G. Pongor, J. E. Boggs, and A. Vargha, J. Am. Chem. Soc. 105, 7037 (1983).
30. G. Rauhut and P. Pulay, J. Phys. Chem. 99, 3093 (1995).
31. J. Baker, A. Jarzecki, and P. Pulay, J. Phys. Chem. A 102, 1412 (1998).
32. D. C. Harris and M. D. Bertolucci, Symmetry and Spectroscopy (Dover, New York, 1989).
33. B. L. McClain, S. M. Clark, R. L. Gabriel, and D. Ben-Amotz, J. Chem. Educ. 77, 654 (2000).
34. N. C. Craig and N. N. Lacuesta, J. Chem. Educ. 81, 1199 (2004).
35. H. B. Jansen and P. Ross, Chem. Phys. Lett. 3, 140 (1969).
36. S. B. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
37. M. J. Frisch, G. W. Trucks, H. B. Schegel, GAUSSIAN 03, Revision B.03, Gaussian, Inc., Pittsburgh. PA, 2003.
38. S. Simón, M. Duran, and J. J. Dannenberg, J. Chem. Phys. 105, 11024 (1996).
39. A. D. Buckingham, Proc. R. Soc. London, Ser. A 255, 32 (1960); Organic Liquids-Structure, Dynamics and Chemical Properties (Wiley, New York, 1978).
40. S. J. Rzoska and J. Ziolo, European Science Foundation Exploratory Workshop, Ustron, Poland, 11-13 October 2007 (unpublished).
41. J. L. Tamarit (unpublished).