Abstract
Theoretical AM1 and PM3 Quantum Chemical Calculations for Some Schiff Bases
Kishor Arora* and Sonal Agnihotri
Abstract:
Schiff bases are used widely for various complexation reactions with various metal ions. These can be obtained easily from various carbonyl containing compounds and amino compounds by a simple condensation reactin proceeding by loss of water molecule. Schiff bases are stable compounds and can be used as ligands for synthesis of various complexes. The electronic structure of some of these Schiff bases can be done by AM1 and PM3 semi-emperical quantum chemical calclations. Such studies act as aid to locate and confirm, the coordination site of these bases which bind to various metal ions.
Keywords:Schiff bases; quantum chemical calculations
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