There does not exist a one-for-all template for such molecule-surface interactions. The adsorbate (molecule) and substrate (metal surface) system may serve as a reference model for representing the underlying scenario occurring inside nano-devices in reality. These adsorption models can lead to more specific applications through understanding the mechanism and the nature of such interactions at a detailed molecular level. The non-transferability of molecular functionalities between free and adsorbed molecules makes it crucial to study the complete system from the atomistic scale. Gold (Au) and silver (Ag) surfaces are among the most extensively studied substrates for molecule adsorption due to their high surface stability, mobility, and reordering capacity. These coinage metals are not only stable but also extensively employed in various catalytic applications, including hydrogen purification for fuel cells, the synthesis of fine chemicals, environmental pollution control, electrocatalysis, and numerous other organic reactions. Despite the extensive research on small molecules like CO, N2, CO2, and NO2, and larger symmetrical molecules such as methane and fullerene (C60) on metal surfaces, there is a significant gap in the study of larger, unsymmetrical, and multicentered molecules like Fc and its analogues. Understanding these adsorption configurations on Au (111) and Ag (111) surfaces is essential, as it influences the electronic and catalytic properties of the adsorbed. Molecular interactions with gold and silver play a role in corrosion inhibition and the development of anti-tarnishing coatings.