Subject: Summary: Aromaticity

From: Thorsten Koch <[email-masked]>
Date: Mon, 17 Mar 1997 10:42:36 +0100 (MET)

Dear CCL'ers!

A week or so ago I asked a question about any recent references on what 
aromaticity actually is, how it can be defined and measured. 
I received more than 20 replys. Thanks to all who responded!

And here are the results:

Y vs. Cyclic Delocalization in Small Ring Dications and Dianions: The
Dominance of Charge Repulsion over Hückel Aromaticity. Timothy Clark,
Dieter Wilhelm, and Paul von Ragué Schleyer. Tetrahedron Letters 1982, 23,
3547-3550. 377. 

In-Plane Aromaticity and Trishomoaromaticity: A Computational Evaluation.
Alan B. McEwen and Paul von Ragué Schleyer. J. Org. Chem. 1986, 51,
4357-4368.

S.Shaik, P.C. Hiberty, J.-M. Lefour and G. Ohanessian, JACS, 109, 363
(1987). 

"What is Aromaticity?" by P. v R. Schleyer and H. J. Jiao, Pure and
Applied Chemistry, vol 68, nr 2, pp 209-218 (1996). 

"What is Aromaticity?" Lloyd, D. J. Chem. Inf. Comput. Sci. 1996 36 442. 

V.I. Minkin, M.N. Glukhovtsev, B.Y. Simkin, Aromaticity and
Antiaromaticity, John Wiley & Sons, Inc., 1994. 
(this was probably the most often mentioned reference)

P.J. Garratt, Aromaticitym, John Wiley & Sons, Inc., 1986. 

J. Chem. Educ., 74 (1997) 132. 

"The Electronic Structure of Cyclooctatetraene and the Modern Valence-Bond
Understanding of Antiaromaticity" by P. B. Karadakov, J Garratt, D. L.
Cooper and M. Raimondi, J. Phys. Chem., 1995, 99, 10186-10195. 

J Phys Chem A, 1997, 101, 1409-1413

Zhou, Parr JACS 111 (1989) 7371-7379

S.A. Vazquez, J.S. Andrews, C.W. Murray, R.D. Amos and N.C. Handy, J.
Chem. Soc. Perkin Trans. 2 (1992) 889. 

T.J. Lee, J.E. Rice, R.B. Remington and H.F. Schaefer, Chem. Phys. Lett.,
150 (1988) 63, and previous papers. 

JACS 1996, 118, 2093 

Organometallics, 1996, 15, 1755

THEOCHEM, 358(1) 55 (1995) 

J. Chem. Soc. Perkin II, 1994, 407 Schleyer et al... 

Localized Molecular Orbitals of Acyclic Polyenes as a Basis for a New
Approach to Resonance Energies, A. Moyano and J. C. Paniagua, J. Org. 
Chem. 51, 2250-2257 (1986).

A Simple Approach for the Evaluation od Local Aromaticities, A. Moyano and
J. C. Paniagua, J. Org. Chem. 56, 1858-1866 (1991). 

Distortive properties of sigma- and pi-electrons and aromaticity: a
semiempirical localized molecular orbital approach, A. Moyano and J. C.
Paniagua, J. Mol. Struc. (Theochem) 369, 39-52 (1996). 

Schleyer et al. Angew. Chem. Int. Ed. Engl. 1995, 34, 337.  

Jiao et al, J. Org. Chem. 1996, 61, 2826-2828.  

Subramanian et al Angew. Chem.Int. Ed. Engl. 1996, 35, 2638-2641.  

Jiao et al, Angew. Chem. Int. Ed.Engl. 1996, 35, 2383 - 2386.  

Jiao et al, J. Phys. Chem. 1996, 100,12299-12304.  

Schleyer et al, J. Am. Chem. Soc. 1996, 118, 6317-6318

Jiao, J. Am. Chem. Soc. 1995, 117, 11529-11535 and the references cited

Bond separation E's as an arom. measure: Chestnut, J Comp Chem, 16 (1995)
1227

Arom of an annulene: Mitchell and Iyer, JACS, 118 (1996) 722

Olefinic vs. arom. character: Sulzbach et al, JACS, 118 (1996) 3519

A simple test for aromaticity: Schleyer et al, JACS, 118 (1996) 3519

Arom of H clusters: J Phys Chem, 100 (1996) 12299

Nature 1986, 323, 699

Chap. in "Valence Bond Theort and Chemical Structure",Elsevier, 1990, 
pp 287-349

JACS 1993, 115, 10925

JACS 1993, 115, 10938

JACS 1993, 115, 10943

JACS 1993, 115, 10952

The Mills-Nixon effect: Ang Chem Int Ed 1994, 33, 1721

The Mills-Nixon effect: Ang Chem Int Ed 1995, 34, 1454

J Phys Chem 1994, 98, 10048

J Phys Chem 1995, 99, 2307

J Am Chem Soc 1995, 117, 7760

Chemical and Engineering News 1996, 1 April, p 27

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