2026-10-14T14:11:40Z https://www.scidb.cn/oai

10.57760/sciencedb.j00213.00136 2025-05-14T16:08:00Z

2025-05-14 Molecule opacities of X2Σ+, A2Π, and B2Σ+ states of CO+ doi:10.57760/sciencedb.j00213.00136 en In this paper, combining the MMorse potential function and ab initio transition dipole moments to calculate the opacity of CO+ cation at 100 atm pressure in the temperature range 298 to 15000 K, and explore the influence of different temperatures on the high temperature spectrum. Table 1 lists the vibrational energy level intervals (in cm-1) for the CO+ cation X2Σ+, A2Π and B2Σ+ states; Table 2 shows the spectral constants for the CO+ cation X2Σ+, A2Π and B2Σ+ states. Figure 1 shows the potential energy curves of the CO+ cation X2Σ+, A2Π and B2Σ+ states; Figure 2 shows the absolute value of the error between the improvement of the CO+ cation X2Σ+, A2Π and B2Σ+ states and the experimental vibrational energy level; Figure 3 shows the change of the dipole transition matrix element of carbon monoxide cations with nuclear spacing; Figure 4 is the partition function of the CO+ cation; Figure 5 is at standard atmospheric pressure, Simed CO+ cation at temperatures of (a)298 K and (b)2000 K, The contribution of the transitions between the various electronic states to the overall opacity; Figure 6 shows the change of the absorption spectrum cross section of CO+ cation with temperature (T = 298, 2000, 5000, 10000 and 15000K). Carbon monoxide cation; spectroscopic constants; opacities Siyaolitu An Tong Wang Lidan Xiao Di Liu Xia Zhang Bing Yan PUBLIC https://creativecommons.org/licenses/by-nc-nd/4.0/ dataset http://www.doi.org/10.7498/aps.74.20250380 Science Data Bank