Rotational spectra of four of the five conformers of 1-pentene

Journal of Chemical Physics

Volumn 112, Issue 14, 2000, Pages 6209-6217

  Fraser, G T ^a   Xu, L H ^b   Suenram, R D ^a   Lugez, C L ^a  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^b UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001329647     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481220     Document Type: Article

References (33)

1. D. J. Tobias, K. Tu, and M. L. Klein, J. Chim. Phys. Phys.-Chim. Biol. 94, 1482 (1997).
2. G. Tasi et al., J. Phys. Chem. A 102, 7698 (1998).
3. J. M. Goodman, J. Chem. Inf. Comput. Sci. 37, 876 (1997).
4. H. Gotō, E. Ōsawa, and M. Yamato, Tetrahedron 49, 387 (1993).
5. N. Nair and J. M. Goodman, J. Chem. Inf. Comput. Sci. 38, 317 (1998).
6. M. Lipton and W. C. Still, J. Comput. Chem. 9, 343 (1988).
7. S. Tsuzuki et al., J. Am. Chem. Soc. 113, 4665 (1991).
8. G. D. Smith and R. L. Jaffe, J. Phys. Chem. 100, 18718 (1996).
9. G. Tasi and F. Mizukami, J. Chem. Inf. Comput. Sci. 38, 632 (1998).
10. T. Iijima, Bull. Chem. Soc. Jpn. 32, 748 (1959).
11. R. A. Bonham and L. S. Bartell, J. Am. Chem. Soc. 81, 3491 (1959).
12. R. A. Bonham, L. S. Bartell, and D. A. Kohl, J. Am. Chem. Soc. 81, 4765 (1959).
13. W. F. Bradford, S. Fitzwater, and L. S. Bartell, J. Mol. Struct. 38, 185 (1977).
14. G. T. Fraser, R. D. Suenram, and C. L. Lugez (unpublished).
15. G. T. Fraser, R. D. Suenram, and C. L. Lugez (unpublished).
16. N. L. Allinger, Y. H. Yuh, and J.-H. Li, J. Am. Chem. Soc. 111, 8551 (1989).
17. N. L. Allinger, F. Li, and L. Yan, J. Comput. Chem. 7, 848 (1990).
18. D. Van Hemlrijk, L. Van den Enden, H. J. Giese, H. L. Sellers, and L. Schäfer, J. Am. Chem. Soc. 102, 2189 (1980).
19. S. Melandri, P. G. Favero, W. Caminati, L. B. Favero, and A. D. Esposti, J. Chem. Soc., Faraday Trans. 93, 2131 (1997).
20. R. D. Suenram, F. J. Lovas, W. Pereyra, G. T. Fraser, and A. R. Hight Walker, J. Mol. Spectrosc. 181, 67 (1997).
21. R. D. Suenram, J.-U. Grabow, A. Zuban, I. Leonov, and M. D. Harmony, Rev. Sci. Instrum. 70, 2127 (1999).
22. R. S. Ruoff, T. D. Klots, T. Emilsson, and H. S. Gutowsky, J. Chem. Phys. 93, 3142 (1990).
23. L. D. Hatherley, R. D. Brown, P. D. Godfrey, A. P. Pierlot, W. Caminati, D. Damiani, S. Melandri, and L. B. Favero, J. Phys. Chem. 97, 46 (1993).
24. S. Melandri, W. Caminati, L. B. Favero, A. Millemaggi, and P. G. Favero, J. Mol. Spectrosc. 352/353, 253 (1995).
25. P. D. Godfrey, R. D. Brown, and F. M. Rodgers, J. Mol. Struct. 376, 65 (1996).
26. C. Chuang, C. J. Hawley, T. Emilsson, and H. S. Gutowsky, Rev. Sci. Instrum. 61, 1629 (1990).
27. J. W. Ponder, TINKER: Software Tools for Molecular Design, Version 3.6; Washington University School of Medicine, 1998.
28. Certain commercial equipment, instruments, or materials are identified in this paper to foster understanding. Such identification does not imply recommendation or endorsement by the National Institute of Standards and Technology, nor does it imply that the materials or equipment identified are necessarily the best available for the purpose.
29. 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, 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, Gaussian 98, Revision A.6, Gaussian, Inc., Pittsburgh, PA, 1998.
30. M. A. Murcko, H. Castejon, and K. B. Wiberg, J. Phys. Chem. 100, 16162 (1996).
31. J. K. G. Watson, in Vibrational Spectra and Structure, edited by J. R. Durig (Elsevier, New York, 1977), Vol. 6, pp. 1-89.
32. T. R. Rizzo, Y. D. Park, L. A. Peteanu, and D. H. Levy, J. Chem. Phys. 84, 2534 (1986).
33. A. Lindinger, J. P. Toennies, and A. F. Vilesov, J. Chem. Phys. 110, 1429 (1999).