Debye relaxation and 250 K anomaly in glass forming monohydroxy alcohols

Journal of Chemical Physics

Volumn 138, Issue 9, 2013, Pages

  Bauer, S ^a   Burlafinger, K ^b   Gainaru, C ^a   Lunkenheimer, P ^b   Hiller, W ^a   Loidl, A ^b   Bohmer R ^a  

^a TU DORTMUND UNIVERSITY   (Germany)

^b UNIVERSITY OF AUGSBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANOMALOUS BEHAVIOR; CHANGE OF BEHAVIOR; DIELECTRIC LOSS SPECTRA; EXPERIMENTAL METHODS; HYDROGEN BOND COOPERATIVITY; HYDROGEN-BONDED LIQUIDS; MONOHYDROXY ALCOHOLS; NUCLEAR MAGNETIC RESONANCE STUDIES;

DIELECTRIC LOSSES; HYDROGEN BONDS;

INFRARED DEVICES;

ALCOHOL DERIVATIVE; GLASS;

ARTICLE; CHEMISTRY; NEAR INFRARED SPECTROSCOPY; TEMPERATURE;

ALCOHOLS; GLASS; SPECTROSCOPY, NEAR-INFRARED; TEMPERATURE;

EID: 84874878966     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4793469     Document Type: Article

References (63)

1. W. Dannhauser and R. H. Cole, J. Chem. Phys. 23, 1762 (1955). 10.1063/1.1740576
2. G. P. Johari and W. Dannhauser, J. Chem. Phys. 48, 5114 (1968). 10.1063/1.1668182
3. V. V. Levin and Y. D. Feldman, Chem. Phys. Lett. 87, 162 (1982). 10.1016/0009-2614(82)83579-3
4. M. A. Floriano and C. A. Angell, J. Chem. Phys. 91, 2537 (1989). 10.1063/1.457013
5. C. Hansen, F. Stickel, T. Berger, R. Richert, and E. W. Fischer, J. Chem. Phys. 107, 1086 (1997). 10.1063/1.474456
6. U. Kaatze, R. Behrends, and R. Pottel, J. Non-Cryst. Solids 305, 19 (2002). 10.1016/S0022-3093(02)01084-0
7. H. Huth, L.-M. Wang, C. Schick, and R. Richert, J. Chem. Phys. 126, 104503 (2007). 10.1063/1.2539105
8. B. Jakobsen, C. Maggi, T. Christensen, and J. C. Dyre, J. Chem. Phys. 129, 184502 (2008). 10.1063/1.3007988
9. C. Gainaru, R. Meier, S. Schildmann, C. Lederle, W. Hiller, E. A. Rössler, and R. Böhmer, Phys. Rev. Lett. 105, 258303 (2010). 10.1103/PhysRevLett.105.258303
10. S. Schildmann, A. Reiser, R. Gainaru, C. Gainaru, and R. Böhmer, J. Chem. Phys. 135, 174511 (2011). 10.1063/1.3647954
11. L.-M. Wang and R. Richert, J. Chem. Phys. 121, 11170 (2004). 10.1063/1.1811072
12. J. G. Kirkwood, J. Chem. Phys. 7, 911 (1939). 10.1063/1.1750343
13. W. Dannhauser, J. Chem. Phys. 48, 1911 (1968). 10.1063/1.1668989
14. J. K Vij, W. G. Scaife, and J. H. Calderwood, J. Phys. D 11, 545 (1978). 10.1088/0022-3727/11/4/018
15. H. Nadolny, A. Volmari, and H. Weingärtner, Ber. Bunsenges. Phys. Chem. 102, 866 (1998). 10.1002/bbpc.19981020612
16. C. Brot, J. Mol. Struct. 250, 253 (1991). 10.1016/0022-2860(91)85032-X
17. C. Gainaru, S. Kastner, F. Mayr, P. Lunkenheimer, S. Schildmann, H. J. Weber, W. Hiller, A. Loidl, and R. Böhmer, Phys. Rev. Lett. 107, 118304 (2011). 10.1103/PhysRevLett.107.118304
18. A. Karpfen, Adv. Chem. Phys. 123, 469 (2002). 10.1002/0471231509.ch8
19. G. P. Johari, O. E. Kalinovskaya, and J. K. Vij, J. Chem. Phys. 114, 4634 (2001). 10.1063/1.1346635
20. O. E. Kalinovskaya and J. K. Vij, J. Chem. Phys. 112, 3262 (2000). 10.1063/1.480909
21. L.-M. Wang and R. Richert, J. Phys. Chem. B 111, 3201 (2007). 10.1021/jp0688254
22. L.-M. Wang, Y. Tian, R. Liu, and R. Richert, J. Chem. Phys. 128, 084503 (2008). 10.1063/1.2840357
23. R. Böhmer, M. Maglione, P. Lunkenheimer, and A. Loidl, J. Appl. Phys. 65, 901 (1989). 10.1063/1.342990
24. Y. Z. Wei and S. Sridhar, Rev. Sci. Instrum. 60, 3041 (1989). 10.1063/1.1140601
25. G. Q. Jiang, W. H. Wong, E. Y. Raskovich, W. G. Clark, W. A. Hines, and J. Sanny, Rev. Sci. Instrum. 64, 1614 (1993). 10.1063/1.1144035
26. A. M. Nicholson and G. F. Ross, IEEE Trans. Instrum. Meas. 19, 377 (1970). 10.1109/TIM.1970.4313932
27. M. Preuß, C. Gainaru, T. Hecksher, S. Bauer, J. C. Dyre, R. Richert, and R. Böhmer, J. Chem. Phys. 137, 144502 (2012). 10.1063/1.4755754
28. F. Palombo, T. Tassaing, Y. Danten, and M. Besnard, J. Chem. Phys. 125, 094503 (2006). 10.1063/1.2336424
29. C. Gainaru and R. Böhmer, J. Non-Cryst. Solids 356, 542 (2010). 10.1016/j.jnoncrysol.2009.07.030
30. D. Fragiadakis, C. M. Roland, and R. Casalini, J. Chem. Phys. 132, 144505 (2010). 10.1063/1.3374820
31. G. P. Johari and M. Goldstein, J. Chem. Phys. 53, 2372 (1970). 10.1063/1.1674335
32. T. El Goresy and R. Böhmer, J. Chem. Phys. 128, 154520 (2008). 10.1063/1.2903403
33. S. Pawlus, M. Paluch, and M. Dzida, Phys. Rev. E 84, 031503 (2011). 10.1103/PhysRevE.84.031503
34. Broadband Dielectric Spectroscopy, edited by, F. Kremer, and, A. Schönhals, (Springer, Heidelberg, 2003).
35. M. Köhler, P. Lunkenheimer, Y. Goncharov, R. Wehn, and A. Loidl, J. Non-Cryst. Solids 356, 529 (2010). 10.1016/j.jnoncrysol.2009.07.029
36. P. Lunkenheimer, L. C. Pardo, M. Köhler, and A. Loidl, Phys. Rev. E 77, 031506 (2008). 10.1103/PhysRevE.77.031506
37. C. Lederle, W. Hiller, C. Gainaru, and R. Böhmer, J. Chem. Phys. 134, 064512 (2011). 10.1063/1.3549123
38. H. Graener, T. Q. Ye, and A. Laubereau, J. Chem. Phys. 90, 3413 (1989). 10.1063/1.455849
39. M. A. Czarnecki and K. Orzechowski, J. Phys. Chem. A 107, 1119 (2003). 10.1021/jp026384s
40. M. A. Czarnecki, J. Phys. Chem. A 104, 6356 (2000). 10.1021/jp000407q
41. J. Workman and L. Weyer, Practical Guide to Interpretive Near-Infrared Spectroscopy (CRC, Boca Raton, 2008), p. 29.
42. A. M. C. Davies and S. G. Rutland, Spectrochim. Acta, Part A 44, 1143 (1988). 10.1016/0584-8539(88)80085-0
43. For 3,7D1O and for 4M3H, the δ-band wavelength changes its behavior near 270 K Fig. To check whether this is caused by water contamination, we dried 3,7D1O with a molecular sieve of 4 Å over night. This reduced the water content according to a Karl Fischer titration from ∼400 to 20 ppm. We find practically the same peak wavelengths and absorbances for the δ-band in the treated (open symbols in Fig. and Fig.) and in the untreated sample.
44. R. B. Gupta and R. L. Brinkley, AIChE J. 44, 207 (1998). 10.1002/aic.690440122
45. I. A. W. Filot, A. R. A. Palmans, P. A. J. Hilbers, R. A. van Santen, E. A. Pidko, and T. F. A. de Greef, J. Phys. Chem. B 114, 13667 (2010). 10.1021/jp1072928
46. A wavelength shift can also arise if the transition dipole moment associated with a given vibrational state is temperature dependent. From a comparison of fundamental and overtone modes, it can be deduced that the anharmonicity constant does not vary significantly upon temperature change, at least for 1-octanol, see Ref..
47. F. Bartha, O. Kapuy, C. Kozmutza, and C. van Alsenoy, J. Mol. Struct.: THEOCHEM 666-667, 117 (2003). 10.1016/j.theochem.2003.08.020
48. This argument assumes that the CH combination band, onto which the α- and the β-contributions are superimposed, displays negligible temperature dependence, which seems to be fulfilled, see Refs. and.
49. D. Gerritzen and H. H. Limbach, Ber. Bunsenges. Phys. Chem. 85, 527 (1981). 10.1002/bbpc.19810850702
50. M. Hoffmann and M. S. Conradi, J. Phys. Chem. B 102, 263 (1998). 10.1021/jp9726706
51. M. Huelsekopf and R. Ludwig, J. Mol. Liq. 98, 163 (2002). 10.1016/S0167-7322(01)00305-1
52. M. Paolantoni, P. Sassi, A. Morresi, and R. S. Cataliotti, J. Chem. Phys. 310, 169 (2005). 10.1016/j.chemphys.2004.10.027
53. We assume that branches leading to additional proton accepting end groups are not present, in accord with results of molecular dynamics simulations that find only a tiny fraction (<0.1%) of bifurcated hydrogen bonds, see T. Pylkkänen, J. Lehtola, M. Hakala, A. Sakko, G. Monaco, S. Huotari, and K. Hämäläinen, J. Phys. Chem. 114, 13076 (2010). 10.1021/jp109215q
54. P. Sillrén, J. Bielecki, J. Mattsson, L. Börjesson, and A. Matic, J. Chem. Phys. 136, 094514 (2012). 10.1063/1.3690137
55. J. Lehtola, M. Hakala, and K. Hämäläinen, J. Phys. Chem. B. 114, 6426 (2010). 10.1021/jp909894y
56. M. Iwahashi, Y. Hayashi, N. Hachiya, H. Matsuzawa, and H. Kobayashi, J. Chem. Soc. Faraday Trans. 89, 707 (1993). 10.1039/ft9938900707
57. L. P. Singh and R. Richert, Phys. Rev. Lett. 109, 167802 (2012). 10.1103/PhysRevLett.109.167802
58. J. D. Worley and I. M. Klotz, J. Chem. Phys. 45, 2868 (1966). 10.1063/1.1728040
59. A. Barkatt and C. A. Angell, J. Chem. Phys. 70, 901 (1979). 10.1063/1.437481
60. R. Brand, P. Lunkenheimer, U. Schneider, and A. Loidl, Phys. Rev. B 62, 8878 (2000); 10.1103/PhysRevB.62.8878
61. P. Lunkenheimer, " Broadband dielectric spectroscopy on short-alkyl-chain alcohols. " (unpublished).
62. R. Böhmer, K. L. Ngai, C. A. Angell, and D. J. Plazek, J. Chem. Phys. 99, 4201 (1993). 10.1063/1.466117
63. A. Kudlik, S. Benkhof, T. Blochowicz, C. Tschirwitz, and E. Rössler, J. Mol. Struct. 479, 201 (1999). 10.1016/S0022-2860(98)00871-0