4-NN-Bis-2'- Cyanoethyl Amino Benzaldehyde And 2-Methyl-4-Nn-Bis-2'- Cyanoethyl Amino Benzaldehyde And Aniline

Abstract

Schiff bases formed by different aldehydes are in wide use for the synthetic purpose in both organic synthesis and in co-ordination chemistry of metal complexes. These are reported as stable compounds which are in use as a ligand for synthesis of various complexes. Schiff bases formed by Aniline and Aldehydes (4-NN-BIS 2'-cyanoethylaminobenzaldehyde and 2-Methyl-4-NN-BIS 2'-cyanoethylaminobenzaldehyde) have been reported to form stable complexes with metals. Experimental data for some of these Schiff bases are available. The theoretical studies were done for Schiff bases formed by is Aldehydes with varying amines to locate and confirm the site for co-ordination of the compounds to metal on the basis of electronics structure of the Schiff bases.    In the recent years it has been shown that Ab initio quantum chemical methods[1-2] which utilize the SCF approach within the Hartee - Fock- Roothan[3] approximation are limited in their practical approach as they require calculation of a very large number of many centre integrals. It is the most common requirement is to locate the bonding site, with which the metal ion will react. In this regard, the net atomic charge and the atomic electron density become useful parameter to look for the co-ordination site of a ligand and the stability of the complex.    Schiff base ligands (I-II) used for complex formation  were  synthesized  in laboratory.