Accurate Studies On The P-branch Transitional Spectral Lines Of TiF Molecule

Titanium and related compounds play significant roles in material science, aerospace, and chemical industry. In order to optimize the manufacturing processes and machining processes, it is crucial to establish sensitive methods for detecting and characterizing the microstructures and quantum properties of titanium compounds. Many data of low-lying quantum structures of rovibrational energies and rovibrational transition lines of diatomic systems have been obtained with modern experimentation and quantum theory, but the high-lying ones are still difficult to obtain either experimentally due to the limitation of the sensitivity of the experimental system or theoretically as a result of the model and approximate method used in the theory, In this dissertation, with the help of high-speed computer and a new formula, we use experimental data to predict the values of high-lying unknown rovibrational transition of the P-branch spectral lines of (0,1) band of G4φ3/2-X4φ3/2and (0,0)、(0,1) bands of G4φ5/2-X4φ5/2transitions of TiF molecule, and obtain the correct values of all unknown experimental spectral lines up to J=90.5for this system. These new data greatly broaden the knowledge of the rovibrational structures of TiF molecule, and supply the necessary data base for those research area that need accurate molecular transition lines.There are five parts in this dissertation. Part one and part two briefly describe the significance, the experimental technology and physical methods used to study the spectral transition lines. In part three, a new formula that is proposed by Prof. W.G. Sun and Dr. Q.C. Fan is introduced. Base on this formula, we can use15known experimental transition lines and the known rotational constants (Bv2, Bv,) to correctly generate the values of unknown transition lines. In part four, the rovibrational transition lines of TiF molecule are studied. Lastly, all the research works are summarized in part five.