Abstract

Prediction of coordination ability of amides using eigen vector analysis

Author(s): P.P.Singh, Divya Singh, Akash Chandra Gangwar

It is well known fact that the amides coordinates through their carbonyl oxygen. In order to prove this fact we have considered twelve amides and calculated their eigen vectors using Cache software.With the help of eigen vectors, the concentrations of electrons on carbonyl oxygen and nitrogen atoms of amides have been calculated. In each amide, we have found that the sum of concentrations of electrons on carbonyl oxygen is greater than that on oxygen atom indicating the coordination ability through carbonyl oxygen. Again, as the sum of concentration on carbonyl oxygen increases, its reactivity increases. On this basis we have arranged the amides in increasing order of reactivity.Diethylbenzamide ismost reactive and formamide is least reactive.