A qu antum chemical st udy on the structur al and ele ctronic properties of (۲, ۶-Dichloro-be nzylidene )-(۲, ۴-dic hloro-ph enyl) – am ine

Schiff-base compounds are t ypically formed by condensation of a primary amine a nd an aldehy de, they are used as substrates in the preparation of a number o f transitionmetal complexes they have good ca talysis ability and are suitable for generation o f supramol ecular struct ures [۱-۲]. I n this paper, we have studied the electronic properties of th e (۲, ۶-Dic hloro-benzylidene)-(۲, ۴-dichloro-p henyl)- am ine (DBDP A) compo und was also performed at B۳LYP/۶-۳۱G* le vel.

کلیدواژه ها:

DBDPA ، DFT ، H OMO-LUM O ، Quantu m molecular descriptors