^13C^16O^＋和^12C^16O^＋基态光谱性质的同位素效应研究

Study on the Isotope Effect of Spectroscopic Properties of ^(13)C^(16)O^+ and ^(12)C^(16)O^+ in Ground State

采用Herzberg的同位素理论研究了13C16O+和12C16O+基态光谱性质的同位素效应,得到了实验缺乏的13C16O+基态的光谱常数αe,研究了同位素效应对分子结构性质在振动能级、力常数和势能函数展开系数等方面的影响,并与实验结果进行了比较.结果表明,13C16O+基态与12C16O+基态的光谱性质较好符合Herzberg同位素理论的预计,振动能级、力常数和势能函数展开系数的理论预计非常接近实验结果.

Tbe isotope effects of spectroscopy for ^12C^16O^＋ aqnd ^13C^16O^＋ in ground states are studied using Herzbger＇ s isotope theory. The spectrum constant ae, absent in experiments, is obtained. The effect of isotope effect on the vibrational energy levels, the force constants {fn} and the expansion parameters { an } of potential energy function is investigated in comparison with the experimental data. These results show that the spectroscopic properties of ^12C^16O^＋ aqnd ^13C^16O^＋ in ground states are in better agreement with the results estimated by Herzbger＇ s isotope theory. The theoretically estimated values of vibrational levels, force constants and potential function expansion parameters are very close to the experimental data.