Justification of the Structure of the Reaction Product Between Ferrocarbon and O-Aminobenzoic Acid Using Quantum-Chemical and Ir-Spectroscopy Methods

This study investigates the structure of the product resulting from the reaction between ferrocene-carboxylic acid and o-aminobenzoic acid. To achieve this, we employed a combined approach of quantum-chemical calculations and IR-spectroscopy. Optimized structures of the reaction product were obtained using the "Gaussian 98" program. By analyzing the results from both methods, this study provides an energetic justification for the product's structure and elucidates the relationship between its structure and properties.