Theoretical organic chemistry

Many other examples of the Claisen Condensation will be found in textbooks of theoretical organic chemistry. 

Smith, W. B., 1996. Introduction to Theoretical Organic Chemistry and Molecular Modeling. VCH, New York. 

Introduction to Theoretical Organic Chemistry (in German), Akad. Verlag, 1960. 

C. Parkaiiyi, J.-J. Aaron, Theoretical Organic Chemistry C. Parkanyi, Ed., 233, Elsevier, Amsterdam (1998). 

J. G. Csizmadia, R. Daudel, Computational Theoretical Organic Chemistry Reidel, Dordrecht (1981). 

Nitration is important for two reasons firstly, because it is the most general process for the preparation of aromatic nitro compounds secondly, because of the part which it has played in the development of theoretical organic chemistry. It is of interest because of its own characteristics as an electrophilic substitution. 

The development of theoretical organic chemistry was intimately entwined with the development of that particular aspect of it concerned with aromatic substitution the history of this twin growth has been authoritatively traced. Only the main developments, particularly as they affect nitration, will be noted here. 

Hughes, E. D., (1959). Theoretical Organic Chemistry. International Union of Pure and Applied Chemistry Section of Organic Chemistry. (The Kekule Symposium.) London Butterworths. 

J. A. Hirsch, Concepts in Theoretical Organic Chemistry, Alb and Bacon, Boston, 1974. 

The structure, and the mechanism of the chemical transformations, of the pseudo ammonium bases which can be obtained from heterocyclic quaternary ammonium salts has been one of the most discussed phenomena in theoretical organic chemistry since the first publication in this field by Claus and Himmelmann. These questions have still not been finally decided. 

M. Szwarc and J. H, Binks, Theoretical Organic Chemistry, p, 262. Butter-worths, London, 1959. 

Compounds of special interest whose preparation is described include 1,2,3-benzothiadiazole 1,1-dioxide (a benzyne precursor under exceptionally mild conditions), bis(l,3-diphenylimida-zolidinylidene-2) (whose chemistry is quite remarkable), 6- di-melhylamino)julvene (a useful intermediate for fused-ring non-benzenoid aromatic compounds), dipkenylcyclopropenone (the synthesis of which is a milestone in theoretical organic chemistry), ketene di(2-melhoxyethyl) acetal (the easiest ketene acetal to prepare), 2-methylcyclopenlane-l,3-dione (a useful intermediate in steroid synthesis), and 2-phenyl-5-oxazolone (an important intermediate in amino acid chemistry). 

The more recent work finds its origin in the developments in theoretical organic chemistry which occurred after 1930. By means of the electronic theory of G. N. Lewis and by the consistent application of the ionic theory and that of equilibria to organic chemistry, C. K. Ingold and others began to classify the many compounds and reactions according to fundamental principles, a process which is well known to have yielded a rich harvest. 

The double bond can also be pictured as consisting of two equivalent orbitals, where the centers of electron density point away from the C—C axis. This is the bent-bond or banana-bond picture. Support for this view is found in Pauling, L. Theoretical Organic Chemistry, The Kekule Symposium Butterworth London, 1959, p. 2 Palke, W.E. J, Am. Chem. Soc., 1986,108, 6543. However, most of the literature of organic chemistry is written in terms of the a-7t picture, and in this book we will use it. 

Doering, W. v. E., in Theoretical organic chemistry, p. 35. New York Academic Press 1959. 

Szwarc, M., Binks, J. H. Theoretical Organic Chemistry Kekule Symposium 1958, p. 262, London Butterworths 1958... 

J. S. Murray, P. Politzer, in Theoretical Organic Chemistry, Chapter 7, C. Parkanyi (ed.),... 

Mezey, P. G. (1981) Optimization and analysis of energy hypersurfaces,in Csizmadia, I. G. and Daudel, R.(eds.), Computational theoretical organic chemistry, 101-128. 

The "French" and "Anglo-Saxon" Schools of Theoretical Organic Chemistry... 

The London-Manchester School of Theoretical Organic Chemistry, 18801930... 

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