A bonding study of FNO, FON, and (HFNO)+ using topological method

The molecular properties and nature of the chemical bonding of FNO, FON, FON(TS), and (HFNO)+ are studied using DFT/B3LYP and topological methods. The chemical bonds between the atoms within the molecules are discussed on the basis of the electron density, ϱ(r) and its Laplacian. Molecular graphs, structural stability, and changes in molecular structure are presented from a topological point of view. The reaction path from FON to FNO is also studied. It is shown that the transition structure (FON(TS)) occurs before the topological catastrophe.