There have been a number of recent experimental investigations of the nonadiabatic relaxation dynamics of aniline following excitation to the first three singlet excited states, 1(1)ππ*, 1(1)π3s/πσ* and 2(1)ππ*. Motivated by differences between the interpretations of experimental observations, we have employed CASSCF and XMCQDPT2 calculations to explore the potential energy landscape and relaxa...

Historically, Hammett constants have been extremely effective in describing the influence of substituents on chemical reactivity and other physical and chemical properties, whereas variables derived from quantum chemical calculations have generally been less effective. Taking the experimental pK(a)s of substituted anilines as a representative physicochemical property, five ab initio quantum che...

Metal—Polyaniline nanocomposites such as Platinum-Polyaniline nanocomposite is prepared by insitu oxidative polymerization of aniline and reduction of Pt+4 ions into Pt nanoparticles. Thepolymerization of aniline was carried out in the presence of 1(2PtCN6 [Potassium Hexa CyanoPlatinate (IV)] as oxidizing agent. During the reaction aniline monomers undergo oxidation andform polyaniline (PANT) w...

in this research, an enzyme modified electrode has been produced during the electropolymerization of aniline through incorporation of sulfite oxidase into a conducting polymer. then the bioelectrochemical response of resulted sulfite biosensor was investigated at different experimental conditions. study of  the stability of the resulted sulfite biosensor revealed that formation of a passive fil...

The rhodium-catalyzed regio- and enantioselective amination of racemic tertiary allylic trichloroacetimidates with a variety of aniline nucleophiles is a direct and efficient route to chiral α,α-disubstituted allylic N-arylamines. We describe the first dynamic kinetic asymmetric transformations of racemic tertiary allylic electrophiles with anilines utilizing a chiral diene-ligated rhodium cata...

The reactions of ethyl Y-phenyl chloro (1) and chlorothio (2) phosphates with X-anilines in acetonitrile at 55.0 degrees C are studied kinetically and theoretically. Kinetic results yield the primary kinetic isotope effects (k(H)/k(D) = 1.07-1.80 and 1.06-1.27 for 1 and 2, respectively) with deuterated aniline (XC(6)H(4)ND(2)) nucleophiles, and the cross-interaction constants rho(XY) = -0.60 an...