Molecular conformations of a partially halogenated ether: A study based on infrared spectroscopy and density functional theory calculations

Journal of Fluorine Chemistry

Volumn 127, Issue 3, 2006, Pages 320-329

  Tommasini, M ^a   Castiglioni, C ^a   Milani, A ^a   Zerbi, G ^a   Radice, S ^b   Toniolo, P ^b   Grossi, C ^b   Picozzi, R ^b   Di Meo, A ^b   Tonelli, C ^b  

^a POLITECNICO DI MILANO   (Italy)

^b Solvay Solexis   (Italy)

Author keywords

Conformational analysis; DFT; Ether; Fluorine; Infrared spectroscopy; Synthesis

Indexed keywords

EID: 33645387524     PISSN: 00221139     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jfluchem.2005.12.015     Document Type: Article

References (18)

1. B.H. Wang, J.L. Adcock, S.B. Mathur, and W.A. Van Hook J. Chem. Thermodyn. 23 1991 699 710
2. V. Petrov J. Fluorine Chem. 112 2001 117 121
3. G. Marchionni, R. Silvani, G. Fontana, G. Malinverno, and M. Visca J. Fluorine Chem. 95 1999 41 50
4. D. Sianesi, A. Marracini, G. Marchionni, US Patent 5,149,842 (1992).
5. G. Marchionni, P.A. Guarda, M. Paganin, US Patent 5,488,181 (1996).
6. G. Marchionni, G. Spataro, E. Strepparola, Eur. Patent Appl. EP 695775 (1996).
7. M. Visca, R. Silvani, and G. Marchionni Chemtech 27 1997 33 37
8. G. Marchionni, G. Spataro, US Patent 2,003,220,527 (2003).
9. G. Marchionni, M. Visca, US Patent 2,003,013,923 (2003).
10. G. Marchionni, M. Avataneo, U. De Patto, P. Maccone, and G. Pezzin J. Fluorine Chem. 126 2005 463 471
11. G. Marchionni, S. Petricci, P.A. Guarda, G. Spataro, and G. Pezzin J. Fluorine Chem. 125 2004 1081 1086
12. R. Picozzi, A. Di Meo, US Patent 2,004,024,249 (2004).
13. H. Tadokoro, Structure of Crystalline Polymers, Krieger (1990)
14. K. Machida Principles of Molecular Mechanics 1999 Kodansha Ltd./J. Wiley and Sons Tokyo
15. A.D. Becke J. Chem. Phys. 98 1993 5648 5652
16. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, and J.A. Pople Gaussian98, Revision A.7 1998 Gaussian Inc. Pittsburgh, PA
17. M.J.S. Dewar J. Am. Chem. Soc. 107 1985 3902 3909
18. The parameters for fluorine are taken from unpublished work by Dewar and Zoebisch as implemented in the Gaussian98 package [15]