The monohydroxylation of halobenzenes by phenobarbital-induced rat liver microsomes was studied. The p-halophenol was found to be the major metabolite from all four halobenzenes; o-halophenol formation decreased as the halogen atom size increased. Vmax for total hydroxylation (ortho and para products) correlated well with the sigma + Hammett constant with a negative rho value. This implies a po...

In this study, absorption spectra of sixteen azo dyes have been recorded in various solvents. These azo dyes have substituents such as OH, SO3H, Cl, I, NO2, C2H5 and OCH3 in different positions of phenyl ring. There is a shift in λmax whose amount is dependent upon the type and position of substituent on the ring. The effects of substituent on the absorption spectra of azo dyes are interpreted ...

Quantification is essential to fairly compare between synthetic reactions in chemistry. Here we propose two new parameters called “adapted sensitivity constant” (ρadap) and “substrate electronics adaptability” (SEA), easily obtainable from Hammett plots, assess the ability of a (catalytic) reaction transform substrates with opposing electronics. These allow one list reactions, catalyzed or not,...

Systematic studies on phenol derivatives facilitates an explanation of the enhancement or inhibition of the luminol-H2O2-horseradish peroxidase system chemiluminescence. Factors that govern the enhancement are the one-electron reduction potentials of the phenoxy radicals (PhO./PhOH) vs. luminol radicals (L./LH-) and the reaction rates of the phenol derivatives with the compounds of horseradish ...

The ability of the present semiempirical quantum mechanics methods are surveyed for reproducing the transannular interaction in the bifunctional N-phenyl-5-azocanones. The AM1 method is the best with the order of reliability being Am1, PM3, MNDO and MINDO/3. AM1 calculations were then carried out for quantification of transannular interaction. The n(o) ionization potential has be...

the ability of the present semiempirical quantum mechanics methods are surveyed for reproducing the transannular interaction in the bifunctional n-phenyl-5-azocanones. the am1 method is the best with the order of reliability being am1, pm3, mndo and mindo/3. am1 calculations were then carried out for quantification of transannular interaction. the n(o) ionization potential has been used for thi...

Hammett constants (σ) can be important factor to understanding substitution and position effects on benzoic acid. This report describes a computational study of ∆G◦ and σ for six substituted benzoic acid (X= F,Cl ,OH ,NH2 ,CN,NO2 )and phenylacetic acid substituted (X=OH ,NH2 ) at para and meta positions ingas and aqueousphases by DFT method and comparesit to available experimental and theoretic...

Non-covalent interactions of aromatics are important in a wide range of chemical and biological applications. The past two decades have seen numerous reports of arene-arene binding being understood in terms Hammett substituent constants, and similar analyses have recently been extended to cation-arene and anion-arene binding. It is not immediately clear why electrostatic Hammett parameters shou...