Electronic states and potential energy curves of zirconium and hafnium carbon monoxide

Journal of Physical Chemistry A

Volumn 102, Issue 9, 1998, Pages 1602-1607

  Tan, Hang ^a   Liao, Muzhen ^b   Balasubramanian, K ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHEMICAL BONDS; ELECTRONIC STRUCTURE; HAFNIUM COMPOUNDS; ZIRCONIUM COMPOUNDS;

HAFNIUM CARBON MONOXIDE; POTENTIAL ENERGY SURFACE; ZIRCONIUM CARBON MONOXIDE;

ELECTRON ENERGY LEVELS;

EID: 0032000502     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9728971     Document Type: Article

References (39)

1. Hughbanks, T.; Wang, C. C. Inorg. Chem. 1996, 35, 6987.
2. Castellanos, M.; Martinez Chavez, M.; West, A. R. Z. Kristallogr. 1990, 190, 161.
3. Jacoby, D.; Floriani, C.; Chiesi-Villa, A. J. Am. Chem. Soc. 1993, 115, 7025.
4. Curtis, C. J.; Haltiwanger, R. C. Organometallics 1991, 10, 3220.
5. Guram, A. S.; Guo, Z. Y.; Jordan, R. F. J. Am. Chem. Soc. 1993, 115, 4902.
6. Andersen, G.; Lin, M. Organometallics 1988, 7, 2285.
7. Erker, G.; Brackemeyer, T.; Frohlich, R. Organometallics 1997, 16, 531.
8. Fryzuk, M. D.; Mylvaganam, M.; MacGillivary, L. R. Organometallics 1996, 15, 1134.
9. Veith, M.; Mathur, S.; Huch, V. J. Chem. Soc., Dalton Trans. 1997, 12, 2101.
10. Willey, G. R.; Butcher, M. L.; Drew, M. G. B. J. Chem. Soc., Dalton Trans. 1994, 22, 3285.
11. Diamond, M. G.; Green, L. H. M.; Popham, A. N. J. Chem. Soc., Dalton Trans. 1993, 16, 2535.
12. Braunstein, P.; Cauzzi, D.; Kelly, D. Inorg. Chem. 1993, 32, 3373.
13. Corazza, F.; Solari, E.; Floriani, C. J. Chem. Soc., Dalton Trans. 1990, 4, 1335.
14. Ellis, J. E.; Frerichs, S. R.; Stein, B. K. Organometallics 1993, 12, 1048.
15. Waldman, T. E.; Stahl, L.; Wilson, D. R.Organometallics 1993, 12, 1543.
16. Baiker, A.; Maciejewski, M.; Hug, P. J. Catal. 1995, 151, 407.
17. Ishihara, T.; Iwakuni, H.; Eguchi, K. Appl. Catal. 1991, 75, 225.
18. Silver, R. G.; Hou C. J.; Ekerdt, J. G. J. Catal. 1989, 118, 400.
19. Bardi, U.; Ross, P. N. Langmuir 1993, 9, 132.
20. Pestryakov, A. N.; Davydov, A. A. Kinet. Catal. 1996, 37, 859.
21. Arrington, C. A.; Morse, M. D.; Doverstal, M. J. Chem. Phys. 1995, 102, 1895.
22. Arrington, C. A.; Blume, T.; Morse, M. D. J. Phys. Chem. 1994, 98, 1398.
23. Das, K. K.; Balasubramanian, K. J. Mol. Spectrosc. 1991, 145, 142.
24. Majumdar, D.; Balasubramanian, K. Submitted for publication in Chem. Phys. Lett.
25. Dai, D.; Balasubramanian, K. Chem. Phys. Lett. 1994, 231, 352.
26. Dai, D.; Balasubramanian, K. Chem. Phys. Lett. 1992,193, 565.
27. LaJohn, L. A.; Christiansen, P. A.; Ross, R. B.; Atashroo, T.; Ermler, W. C. J. Chem. Phys. 1987, 87, 2812. Ross, R. B.; Powers, J. M.; Atashroo, T.; Ermler, W.; Lajohn, L. A.; Christiansen, P. A. J. Chem. Phys. 1990, 93, 6654.
28. LaJohn, L. A.; Christiansen, P. A.; Ross, R. B.; Atashroo, T.; Ermler, W. C. J. Chem. Phys. 1987, 87, 2812. Ross, R. B.; Powers, J. M.; Atashroo, T.; Ermler, W.; Lajohn, L. A.; Christiansen, P. A. J. Chem. Phys. 1990, 93, 6654.
29. Pacios, L. F.; Christiansen, P. A. J. Chem. Phys. 1985, 82, 2664.
30. Dunning, Jr. T. H.; Hay, P. J. In Methods of Electronic Structure Theory; Schaefer, H. F., III., Ed.; Plenum Press: New York, 1977; p 1.
31. Moore, C. E. Tables of Atomic Energy Levels; National Bureau of Standards: Washington, DC, 1971.
32. Balasubramanian, K. J. Chem. Phys. 1988, 89, 5731.
33. Pitzer, R. M.; Winter, N. W. J. Chem. Phys. 1988, 92, 3061.
34. The major authors of ALCHEMY II are B. Lengsfield, B. Liu, and Y. Yoshmine.
35. Balasubramanian, K. Chem. Phys. Lett. 1986, 127, 585.
36. Huber, K. P.; Herzberg, G. Molecular Spectra and Molecular Structure IV, Constants of Diatomic Molecules; Van Nostrand Reinhold: New York, 1979.
37. Dai, D.; Balasubramanian, K. J. Chem. Phys. 1994, 101, 2148.
38. Balasubramanian, K. Relativistic Effects in Chemistry: Part A & B, Wiley-Interscience: New York, 1997.
39. Dai, D.; Balasubramanian, K. Chem. Phys. Lett. 1995, 238, 207.