The Cplex-isoelectronic Theory of Pericyclic Reactions and Aromaticity

11/08/06

 

 

By Dr. Martin Cloonan                                          Email Contact and CV - E-mail               CV

                                               

                                                                 

 

The inability of quantum based methods to provide an exact representation for complex chemical systems is well documented. Thus quantum based methods are prone to inaccurate predictions due to the use of approximations, assumptions, the diversity of factors involved, intractable calculations, computational limitations, indeterminacy and chaos. Santilli's hadronic chemistry provides a further potential source of inaccuracy due to the fact that it proposes that the present quantum chemical theories require the addition of a small correction factor for molecules with 2 or more electrons. These factors become even more pronounced and inhibitive as the complexity of the system increases. Randell Mills' hydrino species raises questions over the validity of quantum mechanics itself (The hydrogen atom revisited R.L. Mills International Journal of Hydrogen Energy,2000,25,1171-1183).

It is in the area of pericyclic chemistry and aromaticity/antiaromaticity that quantum mechanics has seen it greatest growth within chemistry. Nobel prizes have been awarded for these methods; namely the Woodward Hoffmann Conservation of Orbital Symmetry, Fukui's Frontier Molecular Orbital Theory in 1981 and the ab initio and DFT methods in 1998.

Based on the above limitations of quantum based methods a new theory of pericyclic chemistry and aromaticity/antiaromaticity was developed and published in 2006 in the International Journal of Hydrogen Energy. It is based on the chemical level of the reductional hierarchy and is in line with the Robinson/Ingold electronic theory of organic chemistry. As it is not based on the physics level less factors are involved and thus there is a lower probability of making inaccurate predictions compared to quantum based methods. This new chemical theory is called the Cplex-isoelectronic theory.

A new electronic theory of pericyclic chemistry and aromaticity is proposed: The Cplex-isoelectronic theory. Consistent with Santilli's hadronic chemistry. Cloonan MO. Int J Hydrogen Energy 2007, 32, 159-171.

Application of the Cplex-isoelectronic theory to electrocyclisations, sigmatropic rearrangements, cheletropic reactions and antiaromaticity: Consistent with Santilli's hadronic chemistry. Cloonan MO. Int J Hydrogen Energy 2007, 32 , 3026-3039.

The assumptions of the Cplex-isoelectronic theory were deduced from nucleophilic, radical addition, SN2 and SN2' reactions and the anomeric effect. These assumptions were applied to pericyclic reactions and aromaticity in line with Complexity theory and is backed up by direct empirical evidence from 1,3-dipolar cycloaddition reactions involving nitronates and by its ability to predict the experimental data. The Cplex-isoelectronic theory makes different predictions from the present quantum chemical methods in some cases and the available empirical evidence is consistent with these predictions.

The Cplex-isoelectronic is currently been developed for all areas of pericyclic reactions and aromaticity/antiaromaticity. Obtaining a link with hadronic chemistry and quantum mechanics is for future study