Ring-current aromaticity in open-shell systems

Chemical Physics Letters

Volumn 450, Issue 4-6, 2008, Pages 431-436

  Soncini, A ^a   Fowler, P W ^b  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CURRENT DENSITY; FREE RADICALS; GEOMETRY; NAPHTHALENE; NEGATIVE IONS;

AB INITIO IPSOCENTRIC APPROACH; NAPHTHALENE RADICAL ANIONS; OPEN SHELL SYSTEMS; RING CURRENT AROMATICITY;

AROMATIC COMPOUNDS;

EID: 37449010765     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.11.053     Document Type: Article

References (24)

1. Garratt P.J. Aromaticity (1971), McGraw-Hill Book Company, London
2. Minkin V.I., Glukhovtsev M.N., and Simkin B.Y. Aromaticity and Antiaromaticity. Electronic and Structural Aspects (1994), John Wiley & Sons, New York
3. Smith M.B., and March J. Advanced Organic Chemistry: Reactions, Mechanisms and Structure. fifth ed. (2001), John Wiley & Sons, New York
4. Dauben H.J., Wilson J.D., and Laity J.L. Diamagnetic Susceptibility Exaltation as a Criterion of Aromaticity. In: Snyder J.P. (Ed). Nonbenzenoid Aromatics II (1971), Academic Press, New York 167-206
5. Baird N.C. J. Am. Chem. Soc. 94 (1972) 4941
6. Saunders M., et al. J. Am. Chem. Soc. 95 (1973) 3017
7. Breslow R., Chang H.W., Hill R., and Wassermann E. J. Am. Chem. Soc. 89 (1967) 1112
8. Möllerstedt H., Piqueras M.C., Crespo R., and Ottosson H. J. Am. Chem. Soc. 126 (2004) 13938
9. Roskha S.V., and Kochi J.K. J. Org. Chem. 71 (2006) 9357
10. Krygowski T.M., and Cyrañski M.K. Chem. Rev. 101 (2001) 1385
11. Rinkevicius Z., Vaara J., Telyatnyk L., and Vahtras O. J. Chem. Phys. 118 (2003) 2550
12. Gogonea V., Schleyer P.vonR., and Schreiner P.R. Angew. Chem. Int. Ed. 37 (1998) 1945
13. Fowler P.W., Steiner E., and Jenneskens L.W. Chem. Phys. Lett. 371 (2003) 719
14. Steiner E., and Fowler P.W. Chem. Commun. (2001) 2220
15. Keith T.A., and Bader R.F.W. J. Chem. Phys. 99 (1993) 3669
16. Zanasi R., Lazzeretti P., Malagoli M., and Piccinini F. J. Chem. Phys. 102 (1995) 7150
17. Steiner E., and Fowler P.W. J. Phys. Chem. A 105 (2001) 9553
18. Soncini A. J. Chem. Theory Comput. 3 (2007) 2243
19. Zanasi R. J. Chem. Phys. 105 (1996) 1460
20. McWeeny R., and Sutcliffe B.T. Methods of Molecular Quantum Mechanics (1976), Academic Press, New York See Section 5.4 Hartree-Fock SCF Theory: Open Shells
21. Dodds J.L., and McWeeny R. Chem. Phys. Lett. 13 (1972) 9
22. P. Lazzeretti, R. Zanasi, SYSMO package (University of Modena), 1980 (Additional routines by P.W. Fowler, E. Steiner, R.W.A. Havenith, A. Soncini).
23. Steiner E., and Fowler P.W. Int. J. Quant. Chem. 60 (1996) 609
24. Soncini A., Havenith R.W.A., Fowler P.W., Jenneskens L.W., and Steiner E. J. Org. Chem 67 (2002) 4753-4758