Spectroscopic Estimation of Thermodynamic Properties of Copper Monohalides (CuF, CuCl, CuBr, and CuI)

This paper presents a detailed investigation into the thermodynamic properties of copper monohalides (CuF, CuCl, CuBr, and CuI) based on spectroscopic data and partition function theory. Key thermodynamic quantities, including Gibbs free energy (G), enthalpy (H), entropy (S), and specific heat capacity at constant pressure (Cₚ), are calculated over a broad temperature range of 100 K to 3000 K. The analysis incorporates anharmonicity, nonrigidity, and stretching effects to improve the accuracy of the results. The relationship between temperature and these thermodynamic properties is explored through different modes of molecular motion, such as rotational, vibrational, and translational. Our results offer valuable insights into the behavior of copper monohalides, contributing to their application in fields like material science, nanotechnology, and industrial processes. These data are essential for designing copper-based compounds with optimized thermodynamic properties in advanced technological applications.