Mixed valence/dipole-bound dianions

Journal of Chemical Physics

Volumn 111, Issue 21, 1999, Pages 9469-9474

  Skurski, Piotr ^a,b   Gutowski, Maciej ^c   Simons, Jack ^a  

^a UNIVERSITY OF UTAH   (United States)

^b UNIVERSITY OF GDA SK   (Poland)

^c PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001567807     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480277     Document Type: Article

References (33)

1. Analytical rather than numerical approaches were put forth by E. Fermi and E. Teller, Phys. Rev. 72, 399 (1947), as well as in A. S. Wightman, ibid. 77, 521 (1949); early finite basis set estimates to the critical dipole moment of ∼2.1 Debye were obtained in R. F. Wallis, R. Herman, and H. W. Milnes, J. Mol. Spectrosc. 4, 51 (1960), and later refinement using better basis sets gave 1.695 D [see J. E. Turner, V. E. Andersen, and K. Fox, Phys. Rev. 174, 81 (1968)].
2. Analytical rather than numerical approaches were put forth by E. Fermi and E. Teller, Phys. Rev. 72, 399 (1947), as well as in A. S. Wightman, ibid. 77, 521 (1949); early finite basis set estimates to the critical dipole moment of ∼2.1 Debye were obtained in R. F. Wallis, R. Herman, and H. W. Milnes, J. Mol. Spectrosc. 4, 51 (1960), and later refinement using better basis sets gave 1.695 D [see J. E. Turner, V. E. Andersen, and K. Fox, Phys. Rev. 174, 81 (1968)].
3. Analytical rather than numerical approaches were put forth by E. Fermi and E. Teller, Phys. Rev. 72, 399 (1947), as well as in A. S. Wightman, ibid. 77, 521 (1949); early finite basis set estimates to the critical dipole moment of ∼2.1 Debye were obtained in R. F. Wallis, R. Herman, and H. W. Milnes, J. Mol. Spectrosc. 4, 51 (1960), and later refinement using better basis sets gave 1.695 D [see J. E. Turner, V. E. Andersen, and K. Fox, Phys. Rev. 174, 81 (1968)].
4. Analytical rather than numerical approaches were put forth by E. Fermi and E. Teller, Phys. Rev. 72, 399 (1947), as well as in A. S. Wightman, ibid. 77, 521 (1949); early finite basis set estimates to the critical dipole moment of ∼2.1 Debye were obtained in R. F. Wallis, R. Herman, and H. W. Milnes, J. Mol. Spectrosc. 4, 51 (1960), and later refinement using better basis sets gave 1.695 D [see J. E. Turner, V. E. Andersen, and K. Fox, Phys. Rev. 174, 81 (1968)].
5. K. D. Jordan and W. Luken, J. Chem. Phys. 64, 2760 (1976).
6. W. R. Garrett, J. Chem. Phys. 77, 3666 (1982).
7. M. Gutowski, P. Skurski, A. I. Boldyrev, J. Simons, and K. D. Jordan, Phys. Rev. A 54, 1906 (1996).
8. M. Gutowski, P. Skurski, J. Simons, and K. D. Jordan, Int. J. Quantum Chem. 64, 183 (1997).
9. M. Gutowski and P. Skurski, J. Chem. Phys. 107, 2968 (1997).
10. M. Gutowski and P. Skurski, J. Phys. Chem. B 101, 9143 (1997).
11. M. Gutowski, K. D. Jordan, and P. Skurski, J. Phys. Chem. A 102, 2624 (1998).
12. P. Skurski and M. Gutowski, J. Chem. Phys. 108, 6303 (1998).
13. P. Skurski, M. Gutowski, and J. Simons, J. Chem. Phys. 110, 274 (1999).
14. P. Skurski, M. Gutowski, and J. Simons, J. Phys. Chem. A 103, 625 (1999).
15. M. Gutowski and P. Skurski, Chem. Phys. Lett. 300, 331 (1999).
16. R. N. Compton, in Negative Ions (Multiply Charged Negative Ions), edited by V. A. Esaulov (Cambridge University Press, London, 1995).
17. M. K. Scheller, R. N. Compton, and L. S. Cederbaum, Science 270, 1160 (1995).
18. J. Kalcher and A. F. Sax, Chem. Rev. 94, 2291 (1994).
19. G. F. Freeman and N. H. March, J. Phys. Chem. 102, 4331 (1996).
20. A. I. Boldyrev, M. Gutowski, and J. Simons, Acc. Chem. Res. 29, 497 (1996).
21. A. I. Boldyrev and J. Simons, J. Chem. Phys. 97, 2826 (1992).
22. M. Gutowski, A. I. Boldyrev, J. Simons, J. Rak, and J. Blazejowski, J. Am. Chem. Soc. 118, 1173 (1996).
23. P. Skurski, M. Gutowski, and J. Simons, Int. J. Quantum Chem. (in press).
24. M. Gutowski, P. Skurski, and J. Simons, Int. J. Mass Spectrom. (submitted).
25. T. Koopmans, Physica (Amsterdam) 1, 104 (1934).
26. GAUSSIAN 98, Revision A.6, 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, Inc., Pittsburgh, PA, 1998.
27. G. Schaftenaar, MOLDEN, CAOS/CAMM Center, The Netherlands, 1991.
28. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
29. P. Skurski, M. Gutowski, and J. Simons (in preparation).
30. M. Gutowski and J. Simons, J. Chem. Phys. 93, 3874 (1990).
31. G. L. Gutsev and A. I. Boldyrev, Chem. Phys. 56, 277 (1981); Adv. Chem. Phys. 61, 169 (1985); X.-B. Wang, C.-F. Ding, L.-S. Wang, A. I. Boldyrev, and J. Simons, J. Chem. Phys. 110, 4763 (1999).
32. G. L. Gutsev and A. I. Boldyrev, Chem. Phys. 56, 277 (1981); Adv. Chem. Phys. 61, 169 (1985); X.-B. Wang, C.-F. Ding, L.-S. Wang, A. I. Boldyrev, and J. Simons, J. Chem. Phys. 110, 4763 (1999).
33. G. L. Gutsev and A. I. Boldyrev, Chem. Phys. 56, 277 (1981); Adv. Chem. Phys. 61, 169 (1985); X.-B. Wang, C.-F. Ding, L.-S. Wang, A. I. Boldyrev, and J. Simons, J. Chem. Phys. 110, 4763 (1999).