Tautome rization in imide co mpounds; DFT and NBO studies

Imideco mpounds are similar toamides (R-CO-NH-R'), but have an extraacyl group bounde d to nitrogen atom. They have lo ts of appli cations; for instance, i mides are best known as compone nts of high -strength polymersused to make "space suits".Amide molecules, li ke ketones, show a tautomerismin which their tautomeric form is called imidic acid.From t he structural point of view, except that N atom is replaced for the C atom in a position, imides are similar to β-diketones and c apable to fo rm an intram olecular hy drogen bonding (IHB) in their imidic acid forms.In this paper structure of imide tautomers, their relative stability an d tautomerism have beentheoretica lly investigated by means of DFT a nd NBO calculations.For more cle ar comprehension, the results have been comparedwith the similar substituted β-diketones.

کلیدواژه ها:

Imide ، Im idic acid ، Tautomerization ، Structure ، Intramolecular hydro gen bondin g