Studies on the nature of molecular interaction in o-phenanthroline picrate

Spectroscopic and computational studies on the CT complex of 1,10-phenanthroline and picric acid have been studied with a view to know the type and nature of interaction between them. The FTIR data revealed that the complex in the solid state is a mixture of two complexes viz. components in ionic states and non-ionic states. Quantum mechanical calculations have been carried out to investigate the nature and type of interactions between them using high level DFT-theory. The binding energy of complex involving ionic states of the components is approximately 21 times higher than that of the complex formed by components in unionized states.

Author(s): K. K. Srivastavaa, Shubha Srivastavab, Md. Tanweer Alama and Rituraja

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