Abstract: By Taking the Kekulé structure formulae as the basis of wave function,it is evidenced in our previous paper that the observables related to the excited transition energies from ground state to excited state,will correlate lineally with the natural logrithm of excited over ground state structure count ratio,In(ESC/SC). In this paper,we prove futher that the activation energies and related parameters of reversible process will correlate lineally with the natural logarithm of the product over reactant structure count ratio,In(PSC/RSC),thus the logarithm of rate constant of reversible process,In K,must correlate lineally with ln(PSC/RSC).An exquisite program of automatic drawing for least squares regression,LSGRAPH,has designed in our labroratory with BASIC language. By using of this program,we extend the above resonance theory-excited state observables linear correlation on almost all data of conjugated system homologs which can be collected as yet. The general formula of conjugated system homologs is R-(X)_n-R'type,the X may be-CH=CH- or -C≡C-,the R or R' may be H,alkyl,silanyl,aryl,polycyclic aryl,heterocyclyl as well as various function groups. The observables include the UV absorption band(wave number or wave length),the halve-wave potential of polarographic reduction and oxidation,ionization potential and so on.
When hetero-atoms are present in the end group R or R',the best result will be obtained if assuming for the calculation of excited state structure count that the negative charge will polarize on to the betero-atom with maximal electronegativity. The ionization potentials of normal alkanes disply excellent linear correlation with the logarithm of bond amount,In(3n+1). These facts show that although the resonance hybrid in the ground state,has only unitary structure from the viewpoint of statistics,the multiple structures nature of the resonance hybrid in the excited state,is truly presence.
In terms of the above-mentioned numerous calculation,obviously,the resonance theory for the quantitative treatment of excited state properties and reversible process behaviours,is a highly accurate and the most convenient method as yet.