Studying Relative Stability Theory of Nitroso-Oxime Tautomer

Oxime is a group of organic compounds belonging to the imide derivatives. Oximes are usually generated by the reaction of hydroxylamine and aldehydes or ketones. Nitroso refers to a functional group in organic chemistry which has NO group attached to a carbon or other elements such as sulfur, oxygen or nitrogen. In the present research, it is trying to study stability of Nitroso-oxime compounds. Th e density functional theory (DFT) and Gaussian software are applied for this reaction. Here, different groups of R in different positions used in Nitroso-oxime compounds and confront energy levels difference, different positions of nitrogen electron pair and finally sustainability difference.