Intrinsic and environmental effects in the physico-chemical properties of nitroxides. The case of 2-phenyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-1-oxyl 3-oxide

Chemical Physics Letters

Volumn 310, Issue 1-2, 1999, Pages 159-165

  Di Matteo, Andrea ^a   Adamo, Carlo ^a   Cossi, Maurizio ^a   Barone, Vincenzo ^a   Rey, Paul ^b  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b Lab de Chimie de Coordination   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001526916     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00741-1     Document Type: Article

References (30)

1. Stone T.J., Buckman T., Nordio P.L., McConnel H. Proc. Natl. Acad. Sci. USA. 54:1965;1010.
2. L.D. Berliner, Spin Labeling, Academic Press, New York, 1976 (Vol. 1), 1979 (Vol. 2).
3. L.D. Berliner, Spin Labeling, Academic Press, New York, 1976 (Vol. 1), 1979 (Vol. 2).
4. Keana J.F. Chem. Rev. 78:1978;37.
5. Rassat A. Pure Appl. Chem. 62:1990;223.
6. Caneschi A., Gatteschi D., Rey P. Prog. Inorg. Chem. 39:1991;331.
7. Awaga K., Maruyama Y. Chem. Phys. Lett. 158:1989;556.
8. M. Kinoshita, P. Turek, M. Tamura, K. Nozava, D. Shiomi, Y. Nakazava, M. Ishikawa, M. Takahashi, K. Awaga, T. Inabe, Y. Maruyama, Chem. Lett. (1991) 1225.
9. Ullman E.F., Osiecki J.H., Boocock D.G.B., Darcy R. J. Am. Chem. Soc. 94:1972;7049.
10. Zheludev A., Barone V., Bonnet M., Delley B., Grand A., Ressouche E., Rey P., Subra R., Schweizer J. J. Am. Chem. Soc. 116:1994;2019.
11. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, GAUSSIAN 98 (release A.6) Gaussian, Pittsburgh PA, 1998.
12. Becke A.D. J. Chem. Phys. 98:1993;5648.
13. Becke A.D. J. Chem. Phys. 104:1996;1040.
14. Becke A.D. J. Chem. Phys. 107:1997;8554.
15. Becke A.D. J. Chem. Phys. 109:1998;2092.
16. Adamo C., Barone V. Chem. Phys. Lett. 274:1997;242.
17. Adamo C., Barone V. J. Chem. Phys. 108:1998;664.
18. Adamo C., Barone V. J. Chem. Phys. 110:1999;6158.
19. J.B. Foresman, A.E. Frisch (Eds.), Exploring Chemistry with Electronic Structure Methods, 2nd ed., Gaussian Inc., Pittsburgh, PA, 1996.
20. V. Barone, in: D.P. Chong (Ed.), Recent Advances in Density Functional Methods Part 1, World Scientific Publishing, Singapore, 1995, p. 287.
21. W. Weltner Jr., Magnetic Atoms and Molecules, Dover, New York, 1989.
22. Barone V., Cossi M., Tomasi J. J. Chem. Phys. 107:1997;3210.
23. Cossi M., Barone V. J. Chem. Phys. 109:1998;6246.
24. Amovilli C., Barone V., Cammi R., Cances R., Cossi M., Mennucci B., Pomelli C.S., Tomasi J. Adv. Quantum Chem. 32:1999;227.
25. Cossi M., Tomasi J., Cammi R. Int. Quantum Chem. Quantum Chem. Symp. 29:1995;625.
26. Osiecki J.H., Ullman E.F. J. Am. Chem. Soc. 90:1968;1078.
27. Karpfen A., Ho Choi C., Kertesz M. J. Phys. A. 101:1997;7426.
28. C. Adamo, A. di Matteo, P. Rey, V. Barone, J. Phys. Chem. A, 1999, in press.
29. Rega N., Cossi M., Barone V. J. Am. Chem. Soc. 120:1998;5723.
30. Barone V., Bencini A., Cossi M., di Matteo A., Marchesini M., Totti F. J. Am. Chem. Soc. 120:1998;7069.