Ab initio study of nitrogen-oxygen clusters: N2O3, N4O6, and N8O12

Journal of Physical Chemistry A

Volumn 102, Issue 25, 1998, Pages 4925-4929

  Evangelisti, Stefano ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0013237320     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp981081c     Document Type: Article

References (41)

1. Wright, J. S. J. Am. Chem. Soc. 1974, 96, 4754.
2. Vogler, A.; Wright, R. E.; Kunkley, H. Angew. Chem. 1980, 92, 745.
3. Trinquier, G.; Malrieu, J.; Daudey, J. Chem. Phys. Lett. 1981, 80, 552.
4. Ha, T.-K.; Cimiraglia, R.; Nguyen, M. T. Chem. Phys. Lett. 1981, 83, 317.
5. Huber, H.; Ha, T.-K.; Nguyen, M. T. J. Mol. Struct. (THEOCHEM) 1983, 105, 351.
6. Saxe, P.; Schaefer, H., III. J. Am. Chem. Soc. 1983, 105, 1760.
7. Engelke, R.; Hay, P. J.; Kleier, D. A.; Wadt, W. R. J. Am. Chem. Soc. 1984, 106, 5439.
8. Francl, M. M.; Chesick, J. P. J. Phys. Chem. 1990, 94, 526.
9. Lee, T. J.; Rice, J. E. J. Chem. Phys. 1991, 94, 1215.
10. Lauderdale, W. J.; Stanton, J. F.; Bartlett, R. J. J. Phys. Chem. 1992, 96, 1173-1178.
11. Dunn, K. M.; Morokuma, K. J. Chem. Phys. 1995, 102, 4904.
12. Glukhovtsev, M. N.; Schleyer, P. v. R. Int. J. Quantum Chem. 1993, 46, 119.
13. Engelke, R. J. Phys. Chem. 1989, 93, 5722.
14. Nguyen, M. T. J. Phys. Chem. 1990, 94, 6924. Engelke, R. J. Phys. Chem. 1990, 94, 6925.
15. Nguyen, M. T. J. Phys. Chem. 1990, 94, 6924. Engelke, R. J. Phys. Chem. 1990, 94, 6925.
16. Engelke, R. J. Phys. Chem. 1992, 96, 10789.
17. Glukhovtsev, M. N.; Schleyer, P. v. R. Chem. Phys. Lett. 1992, 198, 547.
18. Alkorta, I.; Elseguero, J.; Rozas, I.; Balaban, A. T. J. Mol. Struct. (THEOCHEM) 1990, 206, 67.
19. Engelke, R.; Stine, J. R. J. Phys. Chem. 1990, 94, 5689.
20. Engelke, R. J. Org. Chem. 1992, 57, 4841.
21. Engelke, R. J. Am. Chem. Soc. 1993, 115, 2961.
22. Leininger, M. L.; Sherrill, C. D.; Schaefer, H. F., III. J. Phys. Chem. 1995, 99, 2324.
23. Gimarc, B. M.; Zhao, M. Inorg. Chem. 1996, 35, 3289.
24. Nguyen, M. T.; Ha, T.-K. Chem. Ber. 1996, 129, 1157.
25. Gagliardi, L.; Evangelisti, S. Il Nuovo Cimento 1996, 18D, 1395.
26. Tian, A.; Ding, F.; Zhang, L.; Xie, Y.; Schaefer, H. F., III. J. Phys. Chem. A 1997, 101, 1946.
27. Gagliardi, L.; Evangelisti, S.; Widmark, P.-O.; Roos, B. O. Theor. Chim. Acta 1997, 97, 136.
28. Gagliardi, L.; Evangelisti, S.; Roos, B. O.; Widmark, P.-O. J. Mol. Struct. (THEOCHEM), in press.
29. Bliznyuk, A. A.; Shen, M.; Schaefer, H. F., III. Chem. Phys. Lett. 1992, 198, 249.
30. Seidl, E. T.; Schaefer, H. F., III. J. Chem. Phys. 1988, 88, 7043.
31. Kim, K. S.; Kim, H. S.; Kim, S.; Jang, J. H.; Schaefer, H. F., III. J. Am. Chem. Soc. 1989, 111, 7746.
32. Kim, K. S.; Jang, J. H.; Kim, S.; Mhin, B.-J.; Schaefer, H. F., III. J. Chem. Phys. 1990, 92, 1887.
33. Evangelisti, S. Chem. Phys. Lett. 1996, 259, 261.
34. Evangelisti, S. Chem. Phys. 1997, 218, 21.
35. Korkin, A. A.; Lowrey, A.; Leszczynski, J.; Lempert, D. B.; Bartlett, R. J. J. Phys. Chem. A 1997, 101, 2709.
36. Jolly, W. L. Modern Inorganic Chemistry; McGraw-Hill: New York, 1984.
37. 2 is substantially less energetic: since the dissociation energy of NO is 115 kcal/mol, we obtain 2 × 151 + (1/2) × 119 - 6 × 39 = 127 kcal/mol for each n.
38. Ramsay, J. B.; Chiles, W. C. In Sixth Symposium (International) on Detonation; Edwards, D. J., Ed.; Office of Naval Research, Department of the Navy: Arlington, VA, 1976.
39. Dunning, T. H. J. Chem. Phys. 1989, 90, 1007.
40. Amos, R. D.; Rice, J. E. The Cambridge Analytic Derivatives Package, 1987.
41. CRC Handbook of Chemistry and Physics, 77th ed.; CRC Press: Boca Raton, FL, 1996.