Subject: CCL: Aromaticity, pi and sigma? (summary)

From: "Jens Spanget-Larsen" <[email-masked]>
Date: Wed, 20 Sep 2000 12:42:17 +0100

Dear CCL,

thank you to all of you who helped me with my search for literature on the 
relative roles of sigma and pi systems in "aromaticity":  
 
> I saw some time ago a paper with a theoretical analysis of the origin of
> "aromaticity" in benzene (and possibly other species), concluding that the
> so-called aromatic stability originated from the sigma-system rather than the
> pi-system.  However, I cannot trace the original reference.  Anybody knows it?
> Have additional work been published in this field?

Below is a list of the suggested literature references.

Yours, Jens >--<

S.S. Shaik, P.C. Hiberty: J. Amer. Chem. Soc. 107, 3089 (1985).

S.S. Shaik et al.: J. Org. Chem. 50, 4657 (1985).

P.C. Hiberty, S.S. Shaik, G. Ohanessian, J.-M. Lefour: J. Org. Chem. 51, 3908
(1986).

S.S. Shaik, P.C. Hiberty, J.-M. Lefour and G. Ohanessian: J. Am. Chem. Soc. 109,
363 (1987).

G. Ohanessian, P.C. Hiberty, J.-M. Lefour, J.-P. Flament, S.S. Shaik: Inorg.
Chem. 27, 2219 (1988).

K. Jug, A. Koester: J. Am. Chem. Soc. 112, 6772 (1990).

J. Schuett, M.C. Boehm: J. Am. Chem. Soc. 114, 7252 (1992).

E.D. Glendening, R. Faust, A. Streitwieser, K.P.C. Vollhardt, F. Weinhold: J.
Amer. Chem. Soc. 115, 10952 (1993). 

P.C. Hiberty, G. Ohanessian G, S.S. Shaik, J.P. Flament JP: Pure & Appl. Chem.
65, 35 (1993).

P.C. Hiberty, D. Danovich, A. Shurki, S. Shaik: J. Am. Chem. Soc. 117, 7760
(1995).

A. Gobbi, Y. Yamaguchi, G. Frenking, H.F. Schaefer III: Chem. Phys. Lett. 244,
27 (1995).

F. Bernardi, P. Celani, M. Olivucci, M.A. Robb, G. Suzzivalli: J. Amer. Chem.
Soc. 117, 10531 (1995).

M.J. Bearpark, F. Bernardi, S. Clifford, M. Olivucci, M.A. Robb, T. Vreven: Mol.
Phys. 89, 37 (1996).

M.J. Bearpark, F. Bernardi, M. Olivucci, M.A. Robb: Int. J. Quantum Chem. 60,
505 (1996).

S. Clifford, M.J. Bearpark, F. Bernardi, M. Olivucci, M.A. Robb, B.R. Smith: J.
Amer. Chem. Soc. 118, 7353 (1996).

S. Shaik, S. Zilberg, Y. Haas: Accts. Chem. Res. 29, 211 (1996).

S. Shaik, A. Shurki, D. Danovich, P.C. Hiberty: J. Mol. Struct. (Theochem)
398-399, 155 (1997).

M. Sola, J. Mestres and M. Duran: J. Phys. Chem. 1995, 99, 10752.

J.M. Galbraith, E. Blank, S. Shaik, P.C. Hiberty: Chemistry - A European Journal
6, 2425 (2000).

M.C. Boehm, C. Saal: Int. J. Quantum Chem. 79, 125 (2000).

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JENS SPANGET-LARSEN         Phone:  +45 4674 2000  (RUC)
Department of Chemistry             +45 4674 2710  (direct)
Roskilde University (RUC)   Fax:    +45 4674 3011 
P.O.Box 260                 E-Mail: [email-masked]
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