Pure rotational spectrum, quadrupole coupling constants and structure of the dimer of pyrrole

Journal of Chemical Physics

Volumn 106, Issue 2, 1997, Pages 504-510

  Columberg, G ^a   Bauder, A ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DEUTERIUM; DISSOCIATION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; HYDROGEN BONDS; ISOTOPES; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONOMERS; NITROGEN; VAN DER WAALS FORCES;

DIMERS; DISSOCIATION ENERGY; INERTIA; ISOTOPOMERS; PYRROLE; QUADRUPOLE COUPLING CONSTANTS; ROTATIONAL TRANSITIONS; STRETCHING MODE;

AROMATIC COMPOUNDS;

EID: 0031558996     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473391     Document Type: Article

References (38)

1. K. C. Janda, J. C. Hemminger, J. S. Winn, S. E. Novick, S. J. Harris, and W. Klemperer, J. Chem. Phys. 63, 1419 (1975).
2. J. M. Steed, T. A. Dixon, and W. Klemperer, J. Chem. Phys. 70, 4940 (1979).
3. E. G. Cox, D. W. Cruickshank, and J. A. S. Smith, Proc. R. Soc. London A 247, 1 (1958).
4. G. E. Bacon, N. A. Curry, and S. A. Wilson, Proc. R. Soc. London A 279, 98 (1958).
5. K. H. Fung, H. L. Selzle, and E. W. Schlag, J. Phys. Chem. 87, 5113 (1983).
6. K. S. Law. M. Schauer, and E. R. Bernstein, J. Chem. Phys. 81, 4871 (1984).
7. K. O. Börnsen, H. L. Selzle, and E. W. Schlag, J. Chem. Phys. 85, 1726 (1986).
8. B. F. Henson, G. V. Hartland, V A. Venturo, and P. M. Felker, J. Chem. Phys. 97, 2189 (1992).
9. W. Scherzer, O. Krätzschmar, H. L. Selzle, and E. W. Schlag, Z. Naturforsch. Teil A 47, 1248 (1992).
10. P. Hobza, H. L. Selzle, and E. W. Schlag, J. Chem. Phys. 93, 5893 (1990).
11. P. Hobza, H. L. Selzle, and E. W. Schlag, J. Phys. Chem. 97, 3937 (1993).
12. P. Hobza, H. L. Selzle, and E. W. Schlag, J. Am. Chem. Soc. 116, 3500 (1994)
13. G. D. Smith and R. L. Jaffe, J. Phys. Chem. 100, 9624 (1996).
14. E. Arunan and H. S. Gutowsky, J. Chem. Phys. 98, 4294 (1993).
15. Y. Ohshima, H. Kohguchi. and Y. Endo, Chem. Phys. Lett. 184, 21 (1991).
16. T. Brupbacher and A. Bauder, J. Chem. Phys. 99, 9394 (1993).
17. T. J. Balle and W. H. Flygare, Rev. Scient. Instrum. 52, 33 (1981).
18. S. Jans-Bürli, Ph.D. thesis, Eidgenössische Technische Hochschule Zürich, 1987.
19. T. A. Brupbacher, Ph.D. thesis, Eidgenössische Technische Hochschule Zürich, 1994.
20. L. Martinache, S. Jans-Bürli, B. Vogelsanger, W. Kresa, and A. Bauder, Chem. Phys. Lett. 149, 424 (1988).
21. B. Bak, D. Christensen, L. Hansen, and J. Rastrup-Andersen, J. Chem. Phys. 24, 720 (1956).
22. See AIP document No. PAPS JCPSA-106-504-11 lor 11 pages of five tables with the observed and the differences to the calculated frequencies for the rotational transitions of ten isotopomers of the pyrrole dimer. Order by PAPS number and journal reference from American Institute of Physics, Physics Auxiliary Publication Service, Carolyn Gehlbach. 500 Sunnyside Boulevard, Woodbury. NY 11797-2999. Fax: 516-576-2223; Electronic mail: paps@aip.org. The price is $1.50 for each microfiche (98 pages) or $5.00 for photocopies of up to 30 pages, and $0.15 for each additional page over 30 pages. Air mail additional. Make checks payable to the American Institute of Physics.
23. J. K. G. Watson, in Vibrarional Spectra and Structure, edited by J. R. Durig (Elsevier, Amsterdam, 1977), Vol. 6, pp. 1-89.
24. H. M. Pickett, J. Mol. Spectrosc. 148, 371 (1991).
25. L. Nygaard, J. T. Nielsen, J. Kirchheiner, G. Maltesen, J. Rastrup-Andersen, and G. O. Sørensen, J. Mol. Struct. 3, 491 (1969).
26. T. D. Klots, T. Emilsson, R. S. Ruoff, and H. S. Gutowsky, J. Phys. Chem. 93, 1255 (1989).
27. R. M. Spycher, D. Petitprez, F. L. Bettens, and A. Bauder, J. Phys. Chem. 98, 11863 (1994).
28. R. M. Spycher, L. Hausherr-Primo, G. Grassi, and A. Bauder, J. Mol. Struct. 351, 7 (1995).
29. L. Martinache, W. Kresa, M. Wegener, U. Vonmont, and A. Bauder, Chem. Phys. 148, 129 (1990).
30. R. K. Bohn, K. W. Hillig, II, and R. L. Kuczkowski, J. Phys. Chem. 93, 3456 (1989).
31. D. Kivelson and E. B. Wilson, Jr., J. Chem. Phys. 21, 1229 (1953).
32. G. Columberg, Ph.D. thesis. Eidgenössische Technische Hochschule Zürich, 1996.
33. M. Oldani, R. Widmer, G. Grassi, and A. Bauder, J. Mol. Struct. 190, 31 (1988).
34. W. G. Read, E. J. Campbell, and G Henderson, J. Chem. Phys. 78, 3501 (1983).
35. M. Tyblewski and A. Bauder, J. Mol. Struct. 102, 267 (1983).
36. W. T. Grubbs, T. P. Dougherty, and E. J. Heilweil, J. Phys. Chem. 99, 10716 (1995).
37. R. P. A. Bettens, S. R. Huber, and A. Bauder, J. Phys. Chem. 98, 4551 (1994).
38. H. Perkampus, U. Krüger, and W. Krüger, Z. Naturforsch. Teil B 24, 1365 (1969).