PCM study of the solvent and substituent effects on bond dissociation energies in O-nitrosyl carboxylate compounds

Journal of Molecular Structure: THEOCHEM

Volumn 821, Issue 1-3, 2007, Pages 47-52

  Li, Xiao Hong ^a,b   Zhang, Rui Zhou ^a   Cheng, Xin Lu ^b   Yang, Xiang Dong ^b  

^a HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

Bond dissociation energy; O Nitrosyl carboxylate compounds; Solvent effect; Substituent effect

Indexed keywords

EID: 34748864892     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.06.026     Document Type: Article

References (25)

1. Fukuto J.M., and Ignarro L.J. Acc. Chem. Res. 30 (1997) 149
2. Butler A.R., and Williams D.L.H. Chem. Soc. Rev. 22 (1993) 233
3. Gnewuch C.T.., and Sosnovsky G. Chem. Rev. 97 (1997) 829
4. Ignarro L.J. Annu. Rev. Pharmacol. Toxicol. 30 (1990) 535
5. Gil R., Casado J., and Izquierdo C. Int. J. Chem. Kinet. 26 (1994) 1167
6. Gil R., Casado J., and Izquierdo C. Int. J. Chem. Kinet. 26 (1994) 1167
7. Casado J., Castro A., Leis J.R., Mosquera M., and Peria M.E. J. Chem. Soc., Perkin Trans. 2 (1985) 1859
8. Iglesias E. J. Am. Chem. Soc. 120 (1998) 13057
9. Ryzhov V., Klippenstein S.J., and Dunbar R.C. J. Am. Chem. Soc. 118 (1996) 5462
10. Jursic B.S. J. Mol. Struct. (Theochem.) 366 (1996) 103
11. Feng Y., Wang J.T., Liu L., and Guo Q.X. J. Phys. Org. Chem. 16 (2003) 883
12. Xian M., Zhu X.-Q., Lu J., Wen Z., and Cheng J.-P. Org. Lett. 2 (2000) 265
13. M.J. Frisch, G.W. Trucks, J.A. Pople, GAUSSIAN 03, Pittsburgh PA, 2003.
14. Becke A.D. J. Chem. Phys. 98 (1993) 5648
15. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
16. Miehlich B., Savin A., Stoll H., and Preuss H. ChemPhysLett 200 (1989) 200
17. Perdew J.P., and Wang Y. Phys. Rev. B 45 (1992) 13,244
18. Perdew J.P. Phys. Rev. B 33 (1986) 8822
19. Cossi M., Barone V., Cammi R., and Tomasi J. ChemPhysLett 255 (1996) 327
20. Barone V., Cossi M., and Tomasi J. J. Chem. Phys. 107 (1997) 3210
21. Mennucci B., and Tomasi J. J. Chem. Phys. 1F06 (1997) 5151
22. Luo Y.R. Handbook of Bond Dissociation Energies in Organic Compounds (2003), CRC Press, Boca Raton
23. Arnett E.M., Amarnath K., Harvey N.G., and Cheng J.-P. J. Am. Chem. Soc. 112 (1990) 344
24. Venimadhavan S., Amarnath K., Harvey N.G., Cheng J.-P., and Arnett E.M. J. Am. Chem. Soc. 11 (1992) 221
25. Bordwell F.G., Cheng J.-P., and Harrelson J.A. J. Am. Chem. Soc. 110 (1988) 229