Ab initio calculations of stationary points on the benzene-Ar and p-difluorobenzene-Ar potential energy surfaces: Barriers to bound orbiting states

Journal of Chemical Physics

Volumn 121, Issue 10, 2004, Pages 4635-4641

  Moulds, Rebecca J ^a   Buntine, Mark A ^b   Lawrance, Warren D ^a  

^a FLINDERS UNIVERSITY   (Australia)

^b UNIVERSITY OF ADELAIDE   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; AROMATIC COMPOUNDS; BINDING ENERGY; ELECTRIC EXCITATION; FLUORESCENCE; MONOMERS; PARAMETER ESTIMATION; POTENTIAL ENERGY; VAN DER WAALS FORCES; VELOCITY CONTROL;

DIFLUOROBENZENE; POTENTIAL ENERGY SURFACES; RARE GAS ATOMS; VELOCITY MAP IMAGING (VMI);

BENZENE;

EID: 4644239757     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1772355     Document Type: Article

References (27)

1. S. M. Bellm, R. J. Moulds, and W. D. Lawrance, J. Chem. Phys. 115, 10709 (2001).
2. M.-C. Su, H.-K. O, and C. S. Parmenter, Chem. Phys. 156, 261 (1991).
3. H.-K. O., C. S. Parmenter, and M.-C. Su, Ber. Bunsenges. Phys. Chem. 92, 253 (1988).
4. P. Hobza, H. L. Selzle, and E. W. Schlag, J. Chem. Phys. 95, 391 (1991).
5. O. Bludsky, V. Spirko, V. Hrouda, and P. Hobza, Chem. Phys. Lett. 196, 410 (1992).
6. W. Klopper, H. P. Lüthi, Th. Brupbacher, and A. Bauder, J. Chem. Phys. 101, 9747 (1994).
7. H. Koch, B. Fernández, and J. Makarewicz, J. Chem. Phys. 111, 198 (1999).
8. B. Fernández, H. Koch, and J. Makarewicz, J. Chem. Phys. 111, 5922 (1999).
9. P. Tarakeshwar, K. S. Kim, E. Kraka, and D. Cremer, J. Chem. Phys. 115, 6018 (2001).
10. R. K. Sampson and W. D. Lawrance, Aust. J. Chem. 56, 275 (2003).
11. E. Riedle and A. van der Avoird, J. Chem. Phys. 104, 882 (1996).
12. Th. Brupbacher, J. Makarewicz, and A. Bauder, J. Chem. Phys. 101, 9736 (1994).
13. P. Hobza, H. L. Selzle, and E. W. Schlag, J. Chem. Phys. 99, 2809 (1993).
14. S. M. Bellm, J. R. Gascooke, and W. D. Lawrance, Chem. Phys. Lett. 330, 103 (2000).
15. J. J. Oh, I. Park, R. J. Wilson, S. A. Peebles, R. L. Kuczkowski, E. Kraka, and D. Cremer, J. Chem. Phys. 113, 9051 (2000).
16. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98, Revision A.11.3, Gaussian, Inc., Pittsburgh, PA, 2002.
17. J. B. Foresman and Æ. Frisch, Exploring Chemistry with Electronic Structure Methods, 2nd ed. (Gaussian Inc., Pittsburgh, PA, 1996).
18. C. Ganzalez and H. B. Schlegel, J. Chem. Phys. 90, 2154 (1989).
19. See EPAPS Document No. E-JCPSA6-121-316430 for a listing of complete geometry specifications (in Cartesian coordinates) for each stationary point on the potential energy surface of each complex, together with a full listing of unscaled vibrational frequencies. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
20. Th. Weber, A. von Bargen, E. Riedle, and H. J. Neusser, J. Chem. Phys. 92, 90 (1990).
21. Th. Brupbacher and A. Bauder, Chem. Phys. Lett. 173, 435 (1990).
22. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
23. Th. Grebner, P. V. Unold, and H. J. Neusser, J. Phys. Chem. A 101, 158 (1997).
24. G. M. Lembach and B. Brutschy, J. Chem. Phys. 107, 6156 (1997).
25. H. Koch, B. Fernández, and O. Christiansen, J. Chem. Phys. 108, 2784 (1998).
26. T. A. Stephenson and S. A. Rice, J. Chem. Phys. 81, 1083 (1984).
27. R. Sussman and H. J. Neusser, J. Chem. Phys. 102, 3055 (1994).