Electronic structure calculations as a tool in the quest for experimental verification of N4

Theoretical and Computational Chemistry

Volumn 12, Issue , 2003, Pages 421-439

  Brinck, Tore ^a   Bittererova, Martina ^a   Östmark, Henric ^b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b Swedish Defense Research Agency   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

NITROGEN;

AB INITIO CALCULATION; CALCULATION; DECOMPOSITION; DISSOCIATION; ELECTRONICS; ENERGY; INFRARED SPECTROSCOPY; ISOMER; ISOMERISM; RAMAN SPECTROMETRY; REVIEW; SYNTHESIS;

EID: 0345415063     PISSN: 13807323     EISSN: None     Source Type: Book Series    
DOI: 10.1016/s1380-7323(03)80017-1     Document Type: Review

References (40)

1. M. N. Glukhovtsev, H. Jiao and P. v. R. Schleyer, Inorg. Chem., 35 (1996) 7124, and references therein.
2. R. J. Bartlett, Chem. Ind., (2000) 140.
3. T. Curtius, Dtsch. Chem. Ges., 23 (1890) 3023.
4. K. 0. Christe, W. W. Wilson, J. A. Sheehy and J. A. Boatz, Angew. Chem. Int. Ed., 38 (1999) 2004.
5. A. Vij, W. W. Wilson, V. Vij, F. S. Tham, J. A. Sheehy and K. O. Christe, J. Am. Chem. Soc., 123 (2001) 6308.
6. A. E. Douglas and W. J. Jones, Can. J. Pys., 43 (1965) 2216.
7. J. M. Dyke, N. B. H. Jonathan, A. E. Lewis and A. Moris, Mol. Phys., 47 (1982) 1231.
8. A. Friedman, A. M. Soliva, S. A. Nizkorodov, E. J. Bieske and J. P. Maier, J. Phys. Chem., 98 (1994) 8896.
9. R. Tian, J. C. Facelli and J. Michl, J. Phys. Chem., 92 (1988) 4073.
10. K. Hiraoka and G. Nakjima, J. Chem. Phys., 88 (1988) 7709.
11. W. E. Thompson and M. E. Jacox, J. Chem. Phys., 93 (1990) 1990.
12. M. S. Workentin, B. D. Wagner, F. Negri, M. Z. Zgierski, J. Lusztyk, W. Siebrand and W. D. D. M., J. Phys. Chem., 99 (1995) 94.
13. A. Hahma, E. Holmberg, N. Hore, R. Tryman, H. Bergman and H. Östmark,presented at the 33rd International Conference of ICT(Ed.), Karlsruhe, 2002.
14. A. Vij, J. G. Pavlovich, W. W. Wilson, V. Vij and K. O. Christe, Angew. Chem. Int. Ed., 41 (2002) 3051.
15. F. Cacace, G. de Petris and A. Troiani, Science, 295 (2002) 480.
16. T. M. Lee and J. M. L. Martin, Chem. Phys. Lett., 357 (2002) 319.
17. K. M. Dunn and K. Morokuma, J. Chem. Phys., 102 (1995) 4904.
18. J. P. Zheng, J. Waluk, J. Spanget-Larsen, D. M. Blake and J. G. Radziszewski, Chem. Phys. Lett., 328 (2000) 227.
19. M. Bittererova, H. Östmark and T. Brinck, Chem. Phys. Lett., 347 (2001) 220.
20. T. J. Venanzi and J. M. Schulman, Mol. Phys., 30 (1975) 281.
21. M. M. Francl and J. P. Chesick, J. Phys. Chem., 94 (1990) 526.
22. T. J. Lee and J. E. Rice, J. Chem. Phys., 94 (1991) 1215.
23. W. J. Lauderdale, J. F. Stanton and R. J. Bartlett, J. Phys. Chem., 96 (1992) 1173.
24. A. A. Korkin, A. Balková, R. J. Bartlett, R. J. Boyd and P. v. R. Schleyer, J. Phys. Chem., 100 (1996) 5702.
25. M. N. Glukhovtsev and S. Laiter, J. Phys. Chem., 100 (1996) 1569.
26. T. J. Lee and C. E. Dateo, Chem. Phys. Lett., 345 (2001) 295.
27. T. Brinck, M. Bittererova and H. Östmark, (2002) in preparation.
28. D. R. Yarkony, J. Am. Chem. Soc., 114 (1992) 5406.
29. Å. Larsson, M. Larsson and H. Östmark, J. Chem. Soc. Faraday Trans., 93 (1997) 2963.
30. M. Bittererova, T. Brinck and H. Östmark, J. Phys. Chem. A, 104 (2000) 11999.
31. -3 kcal/mol.
32. M. N. Glukhovtsev and P. v. R. Schleyer, Int. J. Quantum. Chem., 46 (1993) 119.
33. K. P. Huber and G. Herzberg, Electronic Spectra of Polyatomic Molecules, Van Nostrand Reinhold, New York, 1979.
34. C. R. Brazier, P. F. Bernath, J. B. Burkholder and C. J. Howard, J. Chem. Phys., 89 (1988) 1762.
35. M. Bittererova, H. Östmark and T. Brinck, J. Chem. Phys., 116 (2002) 9740.
36. J. Wasilewski, J. Chem. Phys., 105 (1996) 10969.
37. H. Östmark, O. Launila, S. Wallin and R. Tryman, J. Raman Spectrosc., 32 (2001) 195.
38. S. A. Perera and R. J. Bartlett, Chem. Phys. Lett., 314 (1999) 381.
39. J. F. Stanton and R. J. Bartlett, J. Chem. Phys., 98 (1993) 7029, and references therein.
40. C. Hättig, O. Christiansen, H. Koch and P. Jorgensen, Chem. Phys. Lett., 269 (1997) 428.