Infrared spectroscopy of acetone-methanol liquid mixtures: Hydrogen bond network

Journal of Chemical Physics

Volumn 122, Issue 1, 2005, Pages

  Max, Jean Joseph ^a   Chapados, Camille ^a  

^a UNIVERSITÉ DU QUÉBEC À TROIS RIVIÈRES   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

FOURIER TRANSFORM INFRARED ATTENUATED TOTAL REFLECTANCE SPECTROSCOPY; GAUSSIAN SIMULATIONS; LIQUID MIXTURES; WATER-ACETONE SYSTEMS;

ACETONE; COMPLEXATION; COMPUTER SIMULATION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; HYDROGEN BONDS; LIGHT ABSORPTION; METHANOL; MOLECULAR DYNAMICS; OXYGEN; WATER;

BINARY MIXTURES;

EID: 22944486378     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1790431     Document Type: Article

References (58)

1. J.-J. Max and C. Chapados, J. Chem. Phys. 119, 5632 (2003);
2. 120, 6625 (2004).
3. A. J. Lock, S. Woutersen, and H. J. Bakker, J. Phys. Chem. A 105, 1238 (2001).
4. Y. Maréchal, J. Chem. Phys. 95, 5565 (1991).
5. (a) D. S. Venables, A. Chiu, and C. A. Schmuttenmaer, J. Chem. Phys. 113, 3243 (2000);
6. (b) D. S. Venables and C. A. Schmuttenmaer, 113, 3249 (2000).
7. K. S. Vahaselka, R. Serimaa, and M. Torkkeli, J. Appl. Crystallogr. 28, 189 (1995).
8. J.-J. Max and C. Chapados, J. Chem. Phys. 116, 4626 (2002).
9. P. G. Kusalik, D. Bergman, and A. Laaksonen, J. Chem. Phys. 113, 8036 (2000).
10. F. N. Keutsch, R. S. Fellers, M. G. Brown, M. R. Viant, P. B. Petersen, and R. J. Saykally, J. Am. Chem. Soc. 123, 5938 (2001).
11. F. N. Keutsch and R. J. Saykally, Proc. Natl. Acad. Sci. U.S.A. 98, 10533 (2001).
12. D. M. Wieliczka, S. Weng, and M. R. Querry, Appl. Opt. 28, 1714 (1989).
13. Y. Maréchal, in Hydrogen Bond Networks (NATO ASI Series C), edited by M.-C. Bellissent-Funel and J. C. Doré (Kluwer Academic, Dordretch, 1994).
14. J.-J. Max, S. Daneault, and C. Chapados, Can. J. Chem. 80, 113 (2002).
15. I. S. Kislina, V. D. Maiorov, N. B. Librovich, and M. I. Vinnik, Russ. J. Phys. Chem. 50, 1676 (1976);
16. J.-J. Max, M. Trudel, and C. Chapados, Appl. Spectrosc. 52, 226 (1998);
17. 52, 234 (1998);
18. J.-J. Max and C. Chapados, 52, 963 (1998);
19. 53, 1601 (1999);
20. V. A. Sirotkin, B. N. Solomonov, D. A. Faizullin, and V. D. Fedotov, J. Struct. Chem. 41, 997 (2000);
21. J.-J. Max and C. Chapados, Can. J. Chem. 78, 64 (2000);
22. J.-J. Max and C. Chapados, J. Chem. Phys. 113, 6803 (2000);
23. C. Ménichelli, J.-J. Max, and C. Chapados, Can. J. Chem. 78, 1128 (2000);
24. J.-J. Max, S. de Blois, A. Veilleux, and C. Chapados, Can. J. Chem. 79, 13 (2001).
25. J.-J. Max and C. Chapados, J. Chem. Phys. 115, 2664 (2001).
26. J.-J. Max and C. Chapados, Can. J. Anal. Sci. Spectrosc. 47, 72 (2002).
27. J. E. Bertie and Z. Lan, Appl. Spectrosc. 50, 1047 (1996).
28. J.-J. Max and C. Chapados, Appl. Spectrosc. 53, 1045 (1999).
29. J.-J. Max, C. Ménichelli, and C. Chapados, J. Phys. Chem. A 104, 2845 (2000);
30. J. Baril, J.-J. Max, and C. Chapados, Can. J. Chem. 78, 490 (2000).
31. J.-J. Max and C. Chapados, J. Phys. Chem. A 105, 10681 (2001).
32. J. E. Bertie and Z. Lan, J. Phys. Chem. B 101, 4111 (1997).
33. E. R. Malinowski and D. G. Howery, Factor Analysis in Chemistry (R. E. Krieger, Malabar, Fl, 1989).
34. R. G. Brereton, Multivariate Pattern Recognition in Chemometrics (Elsevier, Amsterdam, 1992).
35. C. Chapados and M. Trudel, Biophys. Chem. 47, 267 (1993).
36. C. Chapados, J. Barwicz, and I. Gruda, Biophys. Chem. 51, 71 (1994).
37. C. Chapados, D. Girard, M. Trudel, and M. Ringuet, Biophys. Chem. 54, 165 (1995);
38. 55, 289 (1995).
39. 5).
40. -1 region.
41. Because of the high absorbtivity of methanol, a cell with a reduced pathlength was made.
42. This cell effective number of reflexions was determined with the pure water spectrum given by Bertie and Lan in Appl. Spectrosc. 50, 1047 (1996).
43. T. Shimanouchi, Tables of Molecular Vibrational Frequencies, Consolidated Volume (National Bureau of Standards, Washington, 1972).
44. A. D. Buckingham, Can. J. Chem. 38, 300 (1960);
45. R. A. Nyquist, C. L. Putzig, and D. L. Hasha, Appl. Spectrosc. 43, 1049 (1989).
46. G. Petit, Master's thesis, Université du Québec à Trois-Rivières, 1993.
47. R. C. Weast, Handbook of Chemistry and Physics, 57th ed. (CRC, Cleveland, 1976).
48. 4 at the limits of the scale are attributable to the precision of the measurements at these extremities, which are not as good as that in the middle of the scale. Nevertheless, the fit is sufficiently good to indicate that this assignment is adequate.
49. G. C. Pimentel and A. L. McLellan, The Hydrogen Bond (Freeman, San- Francisco, 1960).
50. M. Meade, W. E. Waghorne, and M. C. R. Symons, J. Chem. Soc., Faraday Trans. 92, 4395 (1996).
51. M. C. R. Symons and G. Eaton, J. Chem. Soc., Faraday Trans. 1 81, 1963 (1985).
52. 0 represents isolated acetone molecules that do not accept any H bond. This species is probably present in aqueous acetone, but only in minute quantity (due to the higher H-bond donor concentration) that could not be detected in the study on aqueous acetone (Ref. 1).
53. 1) overlap one another. To these are added the satellites components originating from positive and negative combinations of the fundamentals with the far IR bands originating from the external modes, translations and rotations (see Ref. 6).
54. G. A. Jeffrey, An Introduction To Hydrogen Bonding (Oxford University Press, New York, 1997).
55. S. W. Han and K. Kim, J. Phys. Chem. 100, 17124 (1996).
56. -1 one to dipole-dipole interacting pair of nonhydrogen bonded acetone molecules.
57. Unpublished results on methanol-water solutions.
58. S. Dixit, W. C. K. Poon, and J. Crain, J. Phys.: Condens. Matter 12, L323 (2000).