Study of the low-lying electronic states of CCO by photoelectron spectroscopy of CCO- and ab initio calculations

Journal of Chemical Physics

Volumn 105, Issue 22, 1996, Pages 9740-9747

  Zengin, V ^a   Joakim Persson, B ^a,b   Strong, K M ^a   Continetti, R E ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000191760     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473000     Document Type: Article

References (43)

1. K. D. Bayes, J. Chem. Phys. 52, 1903 (1970).
2. K. H. Becker and K. D. Bayes, J. Chem. Phys. 48, 653 (1968).
3. A. Fontijn and S. E. Johnson, J. Chem. Phys. 59, 6193 (1973).
4. M. Ohishi, H. Suzuki, S. Ishikawa, C. Yamada, H. Kanamori, W. M. Irvine, R. D. Brown, P. D. Godfrey, and N. Kaifu, Astrophys. 380, L39 (1991).
5. R. D. Brown, D. M. Cragg, P. D. Godfrey, W. M. Irvine, and D. McGonagle, J. Intl. Soc. Study Origin Life 21, 399 (1992).
6. C. Willis and K. D. Bayes, J. Am. Chem. Soc. 88, 3202 (1967).
7. C. E. M. Strauss, S. H. Kable, G. K. Chawla, P. L. Houston, and I. R. Burak, J. Chem. Phys. 94, 1837 (1990).
8. K. M. Ervin and W. C. Lineberger, in Advances in Gas Phase Ion Chemistry, edited by N. G. Adams and L. M. Babcock (JAI, Greenwich, 1992), Vol. 1, pp. 121-166.
9. M. E. Jacox, D. E. Milligan, N. G. Moll, and W. E. Thomson, J. Chem. Phys. 43, 3734 (1965).
10. C. Devillers and D. A. Ramsay, Can. J. Phys. 49, 2839 (1971).
11. V. M. Donnely, W. M. Pitts, and J. R. McDonald, Chem. Phys. 49, 289 (1980).
12. W. M. Pitts, V. M. Donnelley, A. P. Baronavski, and J. R. McDonald, Chem. Phys. 61, 451 (1981).
13. W. M. Pitts, V. M. Donnelley, A. P. Baronavski, and J. R. McDonald, Chem. Phys. 61, 465 (1981).
14. K. H. Becker, R. König, R. Meuser, P. Wiesen, and K. D. Bayes, J. Photochem. Photobiol. A 64, l (1992).
15. Y. Ohshima and Y. Endo, J. Chem. Phys. 102, 1493 (1994).
16. J. M. Oakes, M. E. Jones, V. M. Bierbaum, and G. B. Ellison, J. Phys. Chem. 87, 4810 (1983).
17. W. A. Goddard III, T. H. Dunning, Jr., W. J. Hunt, and P. J. Hay, Ace. Chem. Res. 6, 368 (1973).
18. J. M. Van Doren, T. M. Miller, A. E. Stevens-Miller, A. A. Viggiano, R. A. Morris, and J. F. Paulson, J. Am. Chem. Soc. 115, 7407 (1993).
19. S. P. Walch, J. Chem. Phys. 72, 5679 (1980).
20. H. U. Suter, M.-B. Huang, and B. Engels, J. Chem. Phys. 101, 7686 (1994).
21. R. L. DeKock, R. S. Grev, and H. F. Schaefer III, J. Chem. Phys. 89, 3016 (1988).
22. K. A. Hanold, C. R. Sherwood, M. C. Garner, and R. E. Continelti, Rev. Sci. Instrum. 66, 5507 (1995).
23. C. R. Sherwood, Ph.D. thesis, University of California, San Diego, 1995.
24. X. Xie and J. D. Simon, Optics Commun. 69, 303 (1989).
25. H. Hotop and W. C. Lineberger, J. Phys. Chem. Ref. Data 14, 731 (1985).
26. D. L. Osborn, D. J. Leahy, D. R. Cyr, and D. M. Neumark, J. Chem. Phys. 104, 5026 (1996).
27. G. Brauer, Handbook of Preparative Inorganic Chemistry, 2nd ed. (Academic, New York, 1963), p. 648.
28. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
29. K. Andersson and B. O. Roos, in Modern Electronic Structure Theory, Part 1, edited by D. Yarkony (World Scientific, Singapore, 1995).
30. K. Andersson, Theor. Chim. Acta 91, 225 (1995).
31. G. Herzberg, Molecular Spectra and Molecular Structure, Vol. III Electronic Spectra and Molecular Structure of Polyatomic Molecules (Van Nostrand, Princeton, 1966).
32. DALTON is an electronic structure program written by T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, H. Koch, J. Olsen, H. Agren, K. L. Bak, V. Bakken, O. Christiansen, A. Halkier, P. Dahle, H. Heiberg, H. Hettema, D. Jonsson, R. Kobayashi, A. S. deMeras, K. V. Mikkelsen, P. Normann, K. Ruud, P. R. Taylor, and O. Vahtras.
33. P.-O. Widmark, P. A. Malmqvist, and B. O. Roos, Theor. Chim. Acta. 77, 291 (1990).
34. J. Almlöf and P. R. Taylor, J. Chem. Phys. 86, 4070 (1987).
35. K. Andersson, M. R. A. Blomberg, M. P. Fülscher, G. Karlström, V. Kellö, R. Lindh, P. A. Malmqvist, J. Noga, J. Olsen, B. O. Roos, A. J. Sadlej, P. E. M. Siegbahn, M. Urban, P.-O. Widmark, MOLCAS-3, University of Lund, Sweden.
36. MOLPRO96 is a package of ab initia programs written by H. J. Werner and P. J. Knowles with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, P. R. Taylor, and R. Lind. The RCCSD method is described in P. J. Knowles, C. Hampel, and H.-J. Werner, J. Chem. Phys. 99, 5219 (1993)
37. and the triples (T) correction in J. D. Watts, J. Gauss, and R. J. Bartlett, J. Chem. Phys. 98, 8718 (1993).
38. S. E. Bradforth, E.-H. Kirn, D. W. Arnold, and D. M. Neumark, J. Chem. Phys. 98, 800 (1993).
39. D. W. Arnold, Ph.D. thesis, University, of California, Berkeley, 1994.
40. K. M. Ervin, J. Ho, and W. C. Lineberger, J. Phys. Chem. 92, 5405 (1988).
41. G. Herzberg, The Spectra and Structure of Simple Free Radicals (Cornell University Press, Ithaca, 1971), pp. 124-127.
42. 298 (CCO)=0.108 eV.
43. J. E. Bartmess, J. Phys. Chem. 98, 6423 (1994).