Frequency analysis is crucial for several reasons:
Identification of Active Sites: It helps in locating the active sites on the catalyst surface by analyzing the vibrational modes. Understanding Reaction Mechanisms: By studying the vibrational spectra of intermediates and transition states, researchers can gain insights into the reaction pathways. Thermodynamic Properties: Frequency analysis provides information on the thermodynamic properties such as entropy and enthalpy of the system, which are important for predicting reaction outcomes.
