ab initio Study of the Intr amolecular Proton Transfer Reaction in Imine - En amine Equilibrium : Effect of the electron dono rs and acceptors Substitutions on their Kinetics

Proton transfer reactions betwe en proton donors and acceptors in the biol ogical energ y conversi on process are not hidden to anyone. These proton transfer reaction occ ur in couple d to electr on transfer reactions occur which is taken place in mitoch ondria [۱,۲]. Additionally hydrogen bonded systems have highest importance in b iology, sol ution chemi stry and acid-base systems. For instance the presences of hydrogen b onds in ami no acids are necessary for the final three dime nsional struc tures of pro teins such as Tertiary and Quaternary structure. This sign ificance of proton transfer reaction and hydrogen bonded s ystems crea te a center of attention for scientists and man y research w ere done to understand the chemi stry of proto n transfer reaction [۳] and nature of hydrogen bonding [۴]. It is co nsiderable t hat the amin o acids have the amino and carb oxylic grou p. The prot on transfer reaction which occurs in Imine-En amine equilibrium, is one of the simplest rea ctions can be assumed as model of reaction taken place in biosystems, so studying its che mistry and recognizing all effecti ve factors on it helps us to understanding the processes in many biological systems. The goal of this rese arch is to study the effect of substitutions on kinetic and t hermodynam ics of proto n transfer reaction in imine-enamine equilibrium as the model of proton transfer reaction in biosyste ms.By chan ging the R ’ the properties of i mine and e namine alter. In this research t he substituti ons of R’ were changed to prod uce new imine enamine systems with different properties and the kinetics of pro ton transfer reaction in those was studied.

کلیدواژه ها:

ab initio ، Imine –Enamine ، Substitution effect