“…Indeed, it is possible to calculate the anharmonicity constants if the frequencies of the fundamental and the overtone vibrational bands are measured. In a frame of a simple two-atom model, the measured vibrational frequency m and the overtone frequency m ov are connected with the frequency x of the harmonic vibration and anharmonicity constant v. If a simple Morse anharmonic oscillator is used to model the vibrations [10], then the anharmonicity constants v can be calculated. The results are presented in Table 1.…”