摘要
The bond stretching vibrations of XF_5 molecules with D_(3h)symmetry are treated computa- tionally on the Morse oscillator model in which the bond oscillators are coupled harmonically.Each calculation involves four parameters for two types of Morse potential and three parameters for the kinetic-energy,potontial coupling terms.The eigenvalue formula for overtone and combination states up to three are presented and can be used to predict all the vibrational energylevels from local mode molecules through normal mode molecules.For PF_5,AsF_5 and VF_5,the coupled Morse oscillator model gives a prediction in good agreement with the experimental data.
The bond stretching vibrations of XF_5 molecules with D_(3h)symmetry are treated computa- tionally on the Morse oscillator model in which the bond oscillators are coupled harmonically.Each calculation involves four parameters for two types of Morse potential and three parameters for the kinetic-energy,potontial coupling terms.The eigenvalue formula for overtone and combination states up to three are presented and can be used to predict all the vibrational energylevels from local mode molecules through normal mode molecules.For PF_5,AsF_5 and VF_5,the coupled Morse oscillator model gives a prediction in good agreement with the experimental data.
基金
Supported by the National Natural Science Fundation of China as Item of Major Project.
