Molecular structures of o-and m-fluoro(trifluoromethoxy)benzenes according to gas electron diffraction and quantum-chemical studies: Comparison of the structures of trifluoromethoxybenzene and its fluorinated derivatives

Russian Journal of Physical Chemistry A

Volumn 79, Issue 10, 2005, Pages 1537-1547

  Vishnevskii, Yu V ^a   Shishkov, I F ^a,b   Khristenko, L V ^a   Rykov, A N ^a   Vilkov, L V ^a   Oberhammer, H ^b  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF TÜBINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON DIFFRACTION; MOLECULAR STRUCTURE;

ANISOLES; GEOMETRIC STRUCTURES;

BENZENE;

EID: 28444453634     PISSN: 00360244     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (29)

1. H. M. Seip and R. Seip, Acta Chem. Scand. 27, 4024 (1973).
2. M. Onda, A. Toda, S. Mori, and I. Yamaguchi, J. Mol. Struct. 144, 47 (1986).
3. S. Tsuzuki, H. Houjou, Y. Nagawa, and K. Hiratani, J. Phys. Chem. A 104, 1332 (2000).
4. M. V. Popik, V. P. Novikov, L. V. Vilkov, et al., J. Mol. Struct. 376, 173 (1996).
5. V. P. Novikov, L. V. Vilkov, and H. Oberhammer, J. Phys. Chem. A 107, 908 (2003).
6. I. F. Shishkov, H. J. Geise, C. Van Alsenoy, et al., J. Mol. Struct. 567-568, 339 (2001).
7. D. Federsel, A. Hermann, D. Christen, et al., J. Mol. Struct. 567-568, 127 (2001).
8. J. Klocker, A. Karpfen, and P. Wolschann, Chem. Phys. Lett. 367, 566 (2003).
9. M. Kieninger, O. N. Ventura, and G. H. F. Dierksen, Chem. Phys. Lett. 389, 405 (2004).
10. I. F. Shishkov, L. V. Khristenko, L. V. Vilkov, and H. Oberhammer, J. Phys. Chem. A 108, 4966 (2004).
11. C. Moller and M. S. Pleset, Phys. Rev. 46, 618 (1934).
12. A. D. Becke, J. Chem. Phys. 98, 5048 (1993).
13. W. J. Hehre, R. Ditchfield, and J. A. Pople, J. Chem. Phys. 56, 2257 (1972).
14. P. C. Harthman and J. A. Pople, Theor. Chim. Acta 28, 213 (1973).
15. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
16. V. A. Sipachev, THEOCHEM 121, 143 (1985).
17. V. A. Sipachev, in Advances in Molecular Structure Research, Ed. by I. Hargittai and M. Hargittai (JAI Press, Stamford, 1999), Vol. 5, pp. 263-311.
18. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian 03, Revision B.03 (Gaussian Inc., Pittsburg, PA, 2003).
19. S. Shibata, K. Jejeina, R. Tani, and J. Nakanuita, Rep. Fac. Sci. Pleizieoka Univ., No. 9, 33 (1974).
20. E. G. Atavin and L. V. Vilkov, Prib. Tekh. Eksp., No. 6, 27 (2002)
21. [Instrum. Exp. Techniques 45 (6), 754 (2002)].
22. G. V. Girichev, A. N. Utkin, and Yu. F. Revichev, Prib. Tekh. Eksp., No. 2, 187 (1984).
23. G. V. Girichev, S. A. Shlykov, and Yu. F. Revichev, Prib. Tekh. Eksp., No. 4, 167 (1986).
24. E. G. Girichev, A. V. Zakharov, G. V. Girichev, and M. I. Bazanov, Izv. Vyssh. Uchbn. Zaved., Tekhnol. Tekst. Prom., No. 2, 142 (2000).
25. http://molstruct.chemport.ru/mykced.html
26. B. Andersen, H. M. Seip, T. Strand, and R. Stolevik, Acta Chem. Scand. 23, 3224 (1969).
27. W. C. Hamilton, Statistics in Physical Science; Estimation, Hypothesis Testing, and Least-Squares (Roland Press, New York, 1964).
28. M. V. Popik, M. A. Tafipol'skii, S. Samdal, et al., Kristallografiya 39, 291 (1994).
29. I. Hargittai, in Stereochemical Applications of GasPhase Electron Diffraction, Ed. by I. Hargittai and M. Hargittai (VCH, 1988).