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The potential curves, spectroscopic constants and dipole moments for
$ {{\text{X}}^{2}}{\Sigma}_{\text{g}}^{+} $ , A 2Π uand$ {{\text{B}}^{2}}{\Sigma}_{\text{u}}^{+} $ state of$ {\text{N}}_{2}^{+} $ are calculated by the internal contraction multi reference configuration interaction (icMRCI) method, with Davidson correction taken into consideration. According to the results of molecular structures, we present the partition function in a temperature range of 100–40000 K and the opacities at different temperatures (295, 500, 1000, 2000, 2500, 5000 and 10000 K) under a fixed pressure of 100 atm. It is found that the populations of excited states increase with temperature increasing, as a result, the wavelength range of opacity also increases and band boundaries for different transitions gradually become obscure. In comparison with the cases of N 2with the same pressure and temperature, significant discrepancies are found in the wavelength ranges and structures of opacity of$ {\text{N}}_{2}^{+} $ for the present work. The influence of temperature on the opacity of$ {\text{N}}_{2}^{+} $ is studied systematically in the present work, which is expected to provide theoretical and data support for astrophysics.-
Keywords:
- nitrogen cation/
- spectroscopic constants/
- opacities
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$ \nu $ $ {{\rm{X}}^{2}}{\Sigma}_{\rm{g}}^{+} $ $ {{\rm{A}}^{2}}{{\Pi}_{\rm{u}}} $ $ {{\rm{B}}^{2}}{\Sigma}_{\rm{u}}^{+} $ This work Experiment[18] This work Experiment[18] This work Experiment[18] 1 2160.20 2186.3 1860.80 1873.1 2350.81 2371.5 2 2127.69 2131.8 1830.13 1843.2 2296.85 2318.8 3 2095.20 2118.8 1800.42 1813.3 2236.54 2260.4 4 2062.18 2054.0 1770.50 1783.7 2169.60 2196.4 5 2028.65 2057.7 1740.20 2095.35 2122.8 6 1994.38 2003.6 1710.16 2008.01 2041.0 7 1960.15 1977.9 1680.47 1904.72 1951.1 8 1926.84 1940.7 1650.76 1790.50 1838.2 9 1893.06 1903.8 1621.04 1671.73 1726.9 10 1856.93 1870.9 1591.27 1553.84 1596.7 11 1818.04 1835.8 1561.57 1441.30 1479.9 12 1776.20 1800.6 1531.56 1339.77 1371.4 13 1733.59 1764.7 1501.57 1251.04 1276.3 14 1693.16 1733.5 1471.76 1175.43 1196.3 15 1657.08 1684.3 1442.16 1111.18 1126.6 16 1625.93 1655.8 1412.80 1053.80 1067.1 17 1597.90 1616.3 1383.51 1002.49 1015.5 18 1570.43 1576.8 1354.06 955.83 966.0 19 1541.51 1537.3 1324.26 913.25 922.0 20 1510.09 1497.8 1294.02 873.37 882.0 
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State Source ${R_{\rm{e}}}$/Å ${T_{\rm{e}}}$/$ {{\rm c}}{{{\rm m}}^{{{ - }}1}} $ ${\omega _{\rm{e}}}$/$ {{\rm c}}{{{\rm m}}^{{{ - }}1}} $ ${B_{\rm{e}}}$/$ {{\rm c}}{{{\rm m}}^{{{ - }}1}} $ ${D_{\rm{e}}}$/eV ${ { {\rm X} }^{2} }{{\Sigma}}_{ {\rm g} }^{+}$ This work 1.1191 0 2196.2324 1.9227 8.7145 Expt.[18] 1.116 0 2207.00 1.9319 8.7128 Theory[51] 1.17 0 2075 8.4 Theory[52] 1.106 0 1.97 Theory[53] 1.1201 2193.4 1.919 Theory[54] 1.1203 2195 1.917 Theory[55] 1.1189 2204.5 1.924 Theory[56] 1.1261 0 2140 Theory[57] 1.12 2185 ${ { {\rm A} }^{2} }{ { {\Pi } }_{ {\rm u} } }$ This work 1.1777 8911.1935 1890.3412 1.7358 7.6096 Expt.[18] 1.177 9016.4 1903.53 1.748 7.5948 Theory[51] 1.26 14517.97 1693 6.7 Theory[52] 1.165 9016 1.773 Theory[53] 1.1781 1898.0 1.735 Theory[54] 1.1762 1918 1.739 Theory[55] 1.1772 1900.1 1.737 Theory[56] 1.1875 8872.10 1850 Theory[57] 1.177 1911 ${ { \rm {B} }^{2} }{\Sigma}_{ {\rm u} }^{+}$ This work 1.0772 25861.741 2398.8591 2.0752 5.5273 Expt.[18] 1.077 25566.0 2419.84 2.073 5.5428 Theory[51] 1.16 30649.06 1805 4.6 Theory[52] 1.075 25566 2.084 Theory[58] 1.0832 25823 2441.8 Theory[54] 1.0776 2425 2.072 Theory[56] 1.0838 25325.80 2370 DownLoad:
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