Open-shell spherical aromaticity: The 2N2 + 2N + 1 (with S = N + 1/2) rule

Chemical Communications

Volumn 47, Issue 42, 2011, Pages 11647-11649

  Poater, Jordi ^a   Solà, Miquel ^a  

^a UNIVERSITY OF GIRONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUND;

ARTICLE; BAIRD RULE; CHEMICAL STRUCTURE; ELECTRON TRANSPORT; MATHEMATICAL ANALYSIS;

EID: 80054758159     PISSN: 13597345     EISSN: 1364548X     Source Type: Journal    
DOI: 10.1039/c1cc14958j     Document Type: Article

References (31)

1. N. C. Baird J. Am. Chem. Soc. 1972 94 4941
2. R. Breslow H. W. Chang R. Hill E. Wasserman J. Am. Chem. Soc. 1967 89 1112
3. M. Saunders R. Berger A. Jaffe J. M. McBride J. O'Neill R. Breslow J. M. Hoffmann Jr. C. Perchonock E. Wasserman R. S. Hutton V. J. Huck J. Am. Chem. Soc. 1973 95 3017
4. H. J. Worner F. Merkt Angew. Chem., Int. Ed. 2006 45 293
5. V. Gogonea P. v. R. Schleyer P. R. Schreiner Angew. Chem., Int. Ed. 1998 37 1945
6. P. W. Fowler E. Steiner L. W. Jenneskens Chem. Phys. Lett. 2003 371 719
7. E. Hückel Z. Phys. 1932 76 628
8. E. Hückel Z. Elektrochem. 1937 43 752
9. T. A. Albright, J. K. Burdett and M.-H. Whangbo, Orbital Interactions in Chemistry, John Wiley & Sons, New York, 1985
10. A. Hirsch Z. Chen H. Jiao Angew. Chem., Int. Ed. 2000 39 3915
11. Z. Chen H. Jiao A. Hirsch W. Thiel J. Mol. Model 2001 7 161
12. Z. F. Chen R. B. King Chem. Rev. 2005 105 3613
13. R. B. King T. Heine C. Corminboeuf P. v. R. Schleyer J. Am. Chem. Soc. 2004 126 430
14. X.-J. Kong L.-S. Long Z. Zheng R.-B. Huang L.-S. Zheng Acc. Chem. Res. 2010 43 201
15. P. v. R. Schleyer C. Maerker A. Dransfeld H. Jiao N. J. R. van Eikema Hommes J. Am. Chem. Soc. 1996 118 6317
16. Z. Chen C. S. Wannere C. Corminboeuf R. Puchta P. v. R. Schleyer Chem. Rev. 2005 105 3842
17. M. Giambiagi M. S. de Giambiagi C. D. dos Santos Silva A. P. de Figueiredo Phys. Chem. Chem. Phys. 2000 2 3381
18. P. Bultinck R. Ponec S. Van Damme J. Phys. Org. Chem. 2005 18 706
19. P. v. R. Schleyer M. Manoharan Z. X. Wang B. Kiran H. J. Jiao R. Puchta N. J. R. van Eikema Hommes Org. Lett. 2001 3 2465
20. F. Feixas E. Matito J. Poater M. Solà J. Comput. Chem. 2008 29 1543
21. F. Feixas J. O. C. Jiménez-Halla E. Matito J. Poater M. Solà J. Chem. Theory Comput. 2010 6 1118
22. M. Bühl A. Hirsch Chem. Rev. 2001 101 1153
23. R. C. Haddon Science 1993 261 1545
24. A. C. Castro E. Osorio J. O. C. Jiménez-Halla E. Matito W. Tiznado G. Merino J. Chem. Theory Comput. 2010 6 2701
25. C. J. Milios A. Vinslava W. Wernsdorfer S. Moggach S. Parsons S. P. Perlepes G. Christou E. K. Brechin J. Am. Chem. Soc. 2007 129 2754
26. R. Sessoli A. K. Powell Coord. Chem. Rev. 2009 253 2328
27. M. J. Frisch, et al., Gaussian 09, Revision A.02, Gaussian, Inc., Pittsburgh, PA, 2009
28. E. Matito, ESI-3D: Electron Sharing Indexes Program for 3D Molecular Space Partitioning. http://iqc.udg.es/~eduard/ESI, Institute of Computational Chemistry, Girona, 2006
29. A. D. Becke J. Chem. Phys. 1993 98 5648
30. C. Lee W. Yang R. G. Parr Phys. Rev. B 1988 37 785
31. P. B. Karadakov J. Phys. Chem. A 2008 112 7303