Radical stabilization energies of substituted XNH· radicals

Journal of Physical Chemistry A

Volumn 106, Issue 28, 2002, Pages 6651-6658

  Song, Ke Sheng ^a   Cheng, Yu Hui ^a   Fu, Yao ^a   Liu, Lei ^b   Li, Xiao Song ^c   Guo, Qing Xiang ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b Och Spine at New York Presbyterian Hospitals   (United States)

^c WAYNE STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; ELECTRONS; ENTHALPY; NITROGEN;

RADICAL STABILIZATION ENERGIES;

CHEMICAL BONDS;

EID: 0037130526     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020610g     Document Type: Article

References (27)

1. McMillen, D.F.; Golden, D.M. Annu. Rev. Phys. Chem. 1982, 33, 493.
2. (a) Bordwell, F.G.; Zhang, X.-M. Acc. Chem. Res. 1993, 26, 510.
3. (b) Berkowitz, J.; Ellison, G.B.; Gutman, D. J. Phys. Chem. 1994, 98, 2744.L.
4. (c) Laarhoven, J.J.; Mulder, P.; Wayner, D.D.M. Acc. Chem. Res. 1999, 32, 342.
5. Henry, D.J.; Parkinson, C.J.; Mayer, P.M.; Radom, L. J. Phys. Chem. A 2001, 105, 6750; and references therein.
6. (a) Schlegel, H.B. J. Chem. Phys. 1986, 84, 4530.
7. (b) Schlegel, H.B. J. Phys. Chem. 1988, 92, 3075.
8. (c) Chen, W.; Schlegel, H.B. J. Chem. Phys. 1994, 101, 5957.
9. Sordo, J.A. J. Chem. Phys. 2001, 114, 1974.
10. Krylov, A.I. J. Chem. Phys. 2000, 113, 6052.
11. Yuan, H.; Cremer, D. Chem. Phys. Lett. 2000, 324, 389.
12. Szalay, P.G.; Gauss, J. J. Chem. Phys. 2000, 112, 4027.
13. Ayala, P.Y.; Schlegel, H.B. J. Chem. Phys. 1998, 108, 7560.
14. Chuang, Y.-Y.; Coitino, E.L.; Truhlar, D.G. J. Phys. Chem. A 2000, 104, 446.
15. Byrd, E.F.C.; Sherrill, C.D.; Head-Gordon, M. J. Phys. Chem. A 2001, 105, 9736.
16. (a) Mayer, P.M.; Parkinson, C.J.; Smith, D.M.; Radom, L. J. Chem. Phys. 1998, 108, 604.
17. (b) Parkinson, C.J.; Mayer, P.M.; Radom, L. Theor. Chem. Acc. 1999, 102, 92.
18. (c) Parkinson, C.J.; Mayer, P.M.; Radom, L. J. Chem. Soc., Perkin Trans. 2 1999, 2305.
19. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A., Jr.; Stratmann, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P.M.W.; Johnson, B.G.; Chen, W.; Wong, M.W.; Andres, J.L.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussian 98, revision A.7; Ganssian, Inc.; Pittsburgh, PA, 1998.
20. (a) Curtiss, L.A.; Raghavachari, K.; Redfern, P.C.; Rassolov, V.; Pople, J.A. J. Chem. Phys. 1998, 109, 7764.
21. (b) Curtiss, L.A.; Redfern, K.P.C.; Pople, J.A. J. Chem. Phys. 2000, 112, 7374.
22. (a) Ochterski, J.W.; Petersson, G.A.; Wiberg, K.B. J. Am. Chem. Soc. 1995, 117, 11299.
23. (b) Ochterski, J.W.; Petersson, G.A.; Montgomery, J.A., Jr. J. Chem. Phys. 1996, 104, 2598.
24. Lide, D.R. CRC Handbook of Chemistry & Physics. CRC press LLC. Florida, 2001. The experimental data were converted to the corresponding BDE in the gas phase at 0 K.
25. Stanton, J.F. J. Chem. Phys. 1994, 101, 371.
26. Jiang, X.-K. Acc. Chem. Res. 1997, 30, 283 and references therein.
27. Ingold, K.U.; Wright, J.S. J. Chem. Edu. 2000, 77, 1062.