Topological and Entropy Indices in QSPR Studies of N-Carbophene Covalent Organic Frameworks
摘要
N-carbophenes are two-dimensional covalent organic frameworks (2D-COF) that incorporate low-mobility bands and band gaps. These are promising materials that have applications in nanotechnology. We have obtained the topological indices and graph entropies of hexagonal and rectangular phases of N-carbophene covalent organic frameworks by incorporating vertex degree parameters. The computed topological indices are employed to develop QSPR models for Young’s modulus of one-dimensional wires. Additionally, we compare the structural complexity of the two phases of N-carbophenes which reveals that the hexagonal 2D-COF exhibits a greater entropy compared to the rectangular 2D-COF of N-carbophenes.