Reactions of laser-ablated scandium atoms with nitrogen: Matrix infrared spectra and DFT calculations for scandium nitrides and the fixation of nitrogen by two scandium atoms

Journal of the American Chemical Society

Volumn 120, Issue 13, 1998, Pages 3205-3212

  Chertihin, George V ^a   Andrews, Lester ^a   Bauschlicher Jr , Charles W ^b  

^a UNIVERSITY OF VIRGINIA   (United States)

^b NASA AMES RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; NITROGEN; SCANDIUM;

ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; DENSITY; DISSOCIATION; INFRARED SPECTROSCOPY; IONIZATION; LASER; NITROGEN FIXATION; THEORY;

EID: 0032495779     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja973701d     Document Type: Article

References (43)

1. Douglas, A. E.; Veillette, P. J. J. Chem. Phys. 1980, 72, 5378.
2. Fletcher, D. A.; Scurlock, C. T.; Jung, K. Y.; Steimle, T. C. J. Chem. Phys. 1993, 99, 4288.
3. Simard, B.; Masoni, C.; Hackett, P. J. Mol. Spectrosc. 1989, 136, 44.
4. Peter, S. L.; Dunn, T. M. J. Chem. Phys. 1989, 90, 5333.
5. Balfour, W. J.; Qian, C. X. W.; Zhou, C. J. Chem. Phys. 1997, 106, 4383; 107, 4473.
6. Balfour, W. J.; Qian, C. X. W.; Zhou, C. J. Chem. Phys. 1997, 106, 4383; 107, 4473.
7. Gingrich, R. A. J. Chem. Phys. 1968, 49, 19.
8. Ram, R. S.; Bernath, P. F. J. Chem. Phys. 1992, 96, 6344.
9. Dismukes, J. P.; Yim, W. M.; Ban, V. S. J. Cryst. Growth 1972, 13/14, 365
10. Khaldis, E.; Zeurcher, C. Helv. Phys. Acta 1974, 47, 421.
11. Kunze, K. L.; Harrison, J. F. J. Am. Chem. Soc. 1990, 112, 3812. Harrison, J. F. J. Phys. Chem. 1996, 100, 3513.
12. Kunze, K. L.; Harrison, J. F. J. Am. Chem. Soc. 1990, 112, 3812. Harrison, J. F. J. Phys. Chem. 1996, 100, 3513.
13. Jeung, G. H.; Koutecky, J. J. Chem. Phys. 1988, 88, 3747.
14. Chertihin,. G. V.; Andrews, L.; Rosi, M.; Bauschlicher, C. W., Jr. J. Phys. Chem. A. 1997, 101, 9085.
15. Chertihin, G. V.; Andrews, L.; Neurock, M. J. Phys. Chem. 1996, 100, 14609.
16. Andrews, L.; Bare, W. D.; Chertihin, G. C. J. Phys. Chem. A 1997, 101, 8417.
17. Kushto, G. P.; Souter, P. F.; Chertihin, G. C.; Andrews, L. To be published.
18. Andrews, L.; Citra, A.; Chertihin, G. V.; Bare, W. D.; Neurock, M. J. Phys. Chem. A. To be published.
19. Richards, R. L. Coord. Chem. Rev. 1996, 154, 83 and references therein.
20. Cohen, J. D.; Mylvaganam, M.; Fryzuk, M. D.; Loehr, T. M. J. Am. Chem. Soc. 1994, 116, 9329.
21. Fryzuk, M. D.; Haddad, T. S.; Mylvaganam, M.; McConville, D. H.; Rettig, S. J. Am. Chem. Soc. 1993, 115, 2782.
22. Laplaza, C. E.; Johnson, M. J. A.; Peters, J. C.; Odom, A. L.; Kim, E.; Cummins, C. C.; George, G. N.; Pickering, I. J. J. Am. Chem. Soc. 1996, 118, 8623 and references therein.
23. Andrews, L.; Chertihin, G. V.; Ricca, A.; Bauschlicher, C. W., Jr. J. Am. Chem. Soc. 1996, 118, 467.
24. Thompson, C. A.; Andrews, L. J. Am. Chem. Soc. 1996, 118, 10242.
25. Lanzisera, D. V.; Andrews, L. J. Am. Chem. Soc. 1997, 119, 6392.
26. Tiam, R.; Facelli, J. C.; Michl, J. J. Phys. Chem. 1988, 92, 4073
27. Hassanzadeh, P.; Andrews, L. J. Phys. Chem. 1992, 96, 9177.
28. Gaussian 94, Revision B.I. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople J. A. (Gaussian, Inc., Pittsburgh, PA, 1995).
29. Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265 and references therein.
30. Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033.
31. Hay, P. J. J. Chem. Phys. 1977, 66, 4377.
32. Fournier, R. J. Chem. Phys. 1993, 99, 1801.
33. Jones, V.; Thiel, W. J. Chem. Phys. 1995, 102, 8474.
34. Rosi, M.; Bauschlicher, C. W., Jr.; Chertihin, G. V.; Andrews, L. Theor. Chem. Acc. 1998. In press.
35. Chertihin, G. V.; Andrews, L. J. Phys. Chem. 1995, 99, 6356.
36. Merer, A. J. Annu. Rev. Phys. Chem. 1989, 40, 407.
37. - trapped in solid nitrogen in laser-ablated Y and La atom experiments.
38. Willson, S. P.; Andrews, L. To be published.
39. Kang, H.; Beauchamp, J. L. J. Phys. Chem. 1985, 89, 3364.
40. Thiem, T. L.; Salter, R. H.; Gardner, J. A. Chem. Phys. Lett. 1994, 218, 309.
41. x.
42. Klotzbucher, W. E. Unpublished results.
43. - absorption present here.