Abstract
Intramolecular and liquid structure of 2,2,2-trifluoroethanol (TFE) have been investigated by x-ray diffraction at 25°C. The structural parameters for the skeleton of the molecules in the liquid phase are similar to those in the gas phase. The conformers of TFE molecules in the liquid phase are discussed. The O...O distance at about 284 pm and additional F...O one at about 302 pm were found to be characteristic for the first neighbor interactions. Various models (dimers and trimers) have been examined for analyzing the first neighbor structure. The liquid structure was explained in terms of small clusters consisting of two to three molecules rather than of a more extended polymeric network.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
P. J. Krueger and H. D. Mettee,Can. J. Chem. 42, 340 (1964); B. A. Barnes, H. E. Hallam, and D. Jones,Proc. R. Soc. Lond. A335, 97 (1973); H. D. Purohit, H. S. Sharma, and A. D. Vyas,Bull. Chem. Soc. Jpn. 48, 327 (1975); V. F. Kalasinsky and H. V. Anjaria,J. Phys. Chem. 84, 1940 (1980).
R. N. Haszeldine,J. Chem. Soc. 1757 (1953); L. M. Mukherjee and E. Grunwald,J. Phys. Chem. 62, 1311 (1958); A. Kivinen and J. Murto,Suomen Kemi B40, 6 (1967); R. Zana,J. Phys. Chem. 78, 529 (1974); Soon Ng,J. Magn. Res. 30, 139 (1978); J. W. Larson and T. B. McMahon,J. Am. Chem. Soc. 104, 6255 (1982); J. Gasteiger and M. G. Hutchings,J. Am. Chem. Soc. 106, 6489 (1984); G. Caldwell, T. B. McMahon, P. Kebarle, J. E. Bartmess, and J. P,. Kiplinger,J. Am. Chem. Soc. 107, 80 (1985).
R. L. Livingston and G. Vaughan,J. Chem. Phys. 78, 2711 (1956).
J. Murto, M. Rasanen, A. Aspiala, and T. Lotta,J. Mol. Struct. Theochem. 108, 99 (1984).
L. A. Curtiss,Int. J. Quant. Chem. Symp. 11, 459 (1977).
A. H. Narten and S. I. Sandler,J. Chem. Phys. 71, 2069 (1979).
M. Magini, G. Paschini, and G. Piccaluga.,J. Chem. Phys. 77, 2051 (1982).
A. H. Narten and A. Habenschuss,J. Chem. Phys. 80, 3387 (1984).
D. G. Montague, J. C. Dore, and S. J. Cummings,Mol. Phys 53, 1049 (1984).
Y. Tanaka, N. Ohtomo, and K. Arakawa,Bull. Chem. Soc. Jpn. 57, 644 (1984);Ibid. 58, 270 (1985).
G. Pálinkás, E. Hawlicka, and K. Heinzinger,J. Phys. Chem. 91, 4334 (1987).
T. Radnai, S. Itoh, and H. Ohtaki,Bull. Chem. Soc. Jpn. 61, 3845 (1988).
See.e.g., H. Ohtaki, M. Maeda, and S. Ito,Bull. Chem. Soc. Jpn. 47, 2217 (1974). H. Ohtaki, T. Yamaguchi, and M. Maeda.,Bull. Chem. Soc. Jpn. 49, 701 (1976).
S. Itoh and H. Ohtaki,Z. Naturforsch. 42a, 858 (1987).
U. Mayer, inStudies in Physical and Theoretical Chemistry Vol. 27, N. Tanaka, H. Ohtaki, and R. Tamamushi, eds. (Elsevier, 1982), p. 219.
Author information
Authors and Affiliations
Additional information
Central Research Institute for Chemistry of the Hungarian Academy of Sciences, Budapest, P. O. Box 17, H-1525, Hungary.
Rights and permissions
About this article
Cite this article
Radnai, T., Ishiguro, S. & Ohtaki, H. Intramolecular and liquid structure of 2,2,2-trifluoroethanol by X-ray diffraction. J Solution Chem 18, 771–784 (1989). https://doi.org/10.1007/BF00651809
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00651809