Tautomeris m of hydr ated and d ehydrated barbitu ric acid: A theoreti cal study

Barbituric acid contains four mobile hydrogen atoms, which are responsible for several stable tautom eric forms. The current interest in barbiturates arises from their application in me dicine and a s dyes in chemical industry [۱].The availabilit y of one or two functional groups in the molecules of these compound s determine s different properties th at they possess [۲]. The aim of ou r theoretical investigation has been laid on finding the tr ansition states of som e ket-enoltautomeric forms of barbituric acid bo th in gas phase and in w atermolecules

کلیدواژه ها:

Tauto merization ، Barbituric a cid ، Theoreti cal study