Weak CH⋯F bridges and internal dynamics in the CH 3F·CHF3 molecular complex

Angewandte Chemie - International Edition

Volumn 44, Issue 25, 2005, Pages 3840-3844

  Caminati, Walther ^a   López, Juan C ^b   Alonso, José L ^b   Grabow, Jens Uwe ^c  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b UNIVERSITY OF VALLADOLID   (Spain)

^c LEIBNIZ UNIVERSITY HANNOVER   (Germany)

Author keywords

Halomethanes; Hydrogen bonds; Molecular complexes; Molecular dynamics; Rotational spectroscopy

Indexed keywords

CONFORMATIONS; CRYSTAL SYMMETRY; MOLECULAR DYNAMICS;

AMPLITUDE MOTIONS; DIPOLE-DIPOLE INTERACTIONS; INTERNAL DYNAMICS; MOLECULAR COMPLEX;

COMPLEXATION;

EID: 21244482584     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200500775     Document Type: Article

References (39)

1. "The Weak Hydrogen Bond in Structural Chemistry and Biology": IUCr Monographs on Crystallography, Vol. IX (Eds.: G. R. Desiraju, T. Steiner), Oxford University Press, Oxford, 2001.
2. T. Steiner, Angew. Chem. 2002, 114, 50;
3. Angew. Chem. Int. Ed. 2002, 41, 48.
4. S. N. Delanoye, W. A. Herrebout, B. J. van der Veken, J. Am. Chem. Soc. 2002, 124, 11854.
5. a) W. Caminati, S. Melandri, P. Moreschini, P. G. Favero, Angew. Chem. 1999, 111, 3105;
6. Angew. Chem. Int. Ed. 1999, 38, 2924;
7. b) S. Blanco, J. C. López, A. Lesarri, J. L. Alonso, J. Mol. Struct. 2002, 612, 255.
8. Y. Tatamitani, B. Liu, J. Shimada, T. Ogata, P. Ottaviani, A. Maris, W. Caminati, J. L. Alonso, J. Am. Chem. Soc. 2002, 124, 2739.
9. J. L. Alonso, S. Antolínez, S. Blanco, A. Lesarri, J. C. López, W. Caminati, J. Am. Chem. Soc. 2004, 126, 3244.
10. Y. Tatamitami, T. Ogata, J. Mol. Spectrosc. 2003, 222, 102.
11. S. Blanco, J. C. López, A. Lesarri, W. Caminati, J. L. Alonso, ChemPhysChem 2004, 5, 1779.
12. G. C. Cole, A. C. Legon, Chem. Phys. Lett. 2003, 369, 31.
13. E. Espinosa, I. Alkorta, J. Elguero, E. Molins, J. Chem. Phys. 2002, 117, 5529.
14. E. Kryachko, S. Scheiner, J. Phys. Chem. A 2004, 108, 2527.
15. E. Ebrahimi, H. Roohi, S. M. Habibi, J. Mol. Struct. (Theochem) 2004, 684, 87.
16. H. C. Longuet Higgins, Mol. Phys. 1963, 6, 445.
17. H. Dreizler, Z. Naturforsch. 1961, 16, 1354.
18. For a typical example, see: J. Sheridan, W. Bossert, A. Bauder, J. Mol. Spectrosc. 1980, 80, 1.
19. H. Hartwig, H. Dreizler, Z. Naturforsch. A 1996, 51, 923,
20. T representation of Watson's S-reduced Hamiltonian: J. K. G. Watson in Vibrational Spectra and Structure, Vol. 6 (Ed.: J. R. Durig), Elsevier, New York, 1977, pp. 1-89.
21. R. C. Woods, J. Mol. Spectrosc. 1966, 21, 4.
22. Y. Kawashima, A. P. Cox, J. Mol. Spectrosc. 1978, 72, 423.
23. R. Bocquet, W. D. Chen, D. Papousek, G. Wlodarczak, J. Demaison, J. Mol. Spectrosc. 1994, 164, 456.
24. D. R. Herschbach, J. D. Swalen, J. Chem. Phys. 1958, 29, 761.
25. D. R. Herschbach, J. Chem. Phys. 1959, 31, 91.
26. a) D. J. Millen, Can. J. Chem. 1985, 63, 1477;
27. b) W. G. Read, E. J. Campbell, G. Henderson, J. Chem. Phys. 1983, 78, 3501.
28. W. Caminati, J. Mol. Spectrosc. 1982, 90, 315.
29. R. P. A. Bettens, R. M. Spycher, A. Bauder, Mol. Phys. 1995, 86, 487.
30. R. F. Curl, J. Comput. Phys. 1957, 27, 343.
31. J. Kraitchman, Am. J. Phys. 1953, 21, 17.
32. Gaussian03 (Revision B.04), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 2003.
33. J.-U. Grabow, W. Stahl, Z. Naturforsch. A 1990, 45, 1043;
34. J.-U. Grabow, doctoral thesis, Christian-Albrechts-Universität zu Kiel, Kiel, 1992;
35. J.-U. Grabow, W. Stahl, H. Dreizler, Rev. Sci. Instrum. 1996, 67, 4072.
36. T. J. Balle, W. H. Flygare, Rev. Sci. Instrum. 1981, 52, 33.
37. W. Caminati, A. Millemaggi, J. L. Alonso, A. Lesarri, J. C. Lopez, S. Mata, Chem. Phys. Lett. 2004, 392, 1.
38. th Ohio State University International Conference on Molecular Spectroscopy, MG01, Columbus 2001;
39. J.-U. Grabow, Habilitationsschrift, Universität Hannover, Hannover 2004; http://www.pci.uni-hannover.de/-Igpca/spectroscopy/ ftmw.